Application – Page 69

Chloroisoindolium ammonium diiodide

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FL
Molecular formula	C34H20N2Cl4I2
Molecular weight	611.95
label	Chloroisoindolyl ammonium chloride, Indolinium tetrachloride, Soundalonium chloride

Numbering system

CAS number:69-27-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white solid

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,Air=1): Unsure

4. Melting point (ºC): Unsure

5. Boiling point (ºC,Normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flash point (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): Unsure

12. Saturated vapor pressure (kPa,60��C): Unsure

13. Heat of combustion (KJ/mol): Unsure

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain

17. Explosion upper limit (%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility:H₂O: ~3.75 mg/mL

Toxicological data

Acute toxicity: Rat oral LD50: 300 mg/kg; Rat intravenous LD50 ：28 mg/kg；

Mouse oral LD50: 380 mg/kg; Mouse abdominal cavityLD50：62 mg/kg;
Mouse subcutaneous injection LD50: 240 mg/kg; mouse intravenous LD50 SPAN>：28 mg/kg;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 336

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

For biochemical research and organic synthesis.

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2,6-Dichlorobenzoic acid

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	013G
Molecular formula	C7H4Cl2O2
Molecular weight	191.01
label	2,6-Dichlorobenzoic acid, 2,6-Dichlorobenzoic acid, Cl2C6H3CO2H

Numbering system

CAS number:50-30-6

MDL number:MFCD00002418

EINECS number:200-025-9

RTECS number:DG7000000

BRN number:973858

PubChem number:24893961

Physical property data

1. Properties: White to slightly yellow powder or needle-like crystals

2. Density (g/mL, 25/4℃): Undetermined

3. Relative steam Density (g/mL, air=1): Undetermined

4. Melting point (ºC): 144°C (lit.)

5. Boiling point (ºC, normal pressure) : Undetermined

6. Boiling point (ºC, 5.2 kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC) : Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11 . Vapor pressure (kPa, 25 ºC): Not determined

12. Saturation vapor pressure (kPa, 60 ºC): Not determined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the distribution coefficient (water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, ether, acetone, fluoroform. Water solubility 0.1-1 g/100 mL at 19 ºC

Toxicological data

1. Acute toxicity: mouse subcutaneous LD50: 1500mg/kg; mouse abdominal LD50: 316mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.97

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K ): 341.1

4. Surface tension (dyne/cm): 53.9

5. Polarizability (10-24cm3): 17.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7、 Number of heavy atoms: 11

8, Surface charge: 0

9, Complexity: 151

10, Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

None

Purpose

Synthetic medicines and pesticides.

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Chlopromazine hydrochloride

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FJ
Molecular formula	C17H20Cl2N2S
Molecular weight	355.34
label	2-Chloro-10-(3-dimethylaminopropyl)phenothiazine hydrochloride, hibernation spirit, Colagent, Chlorpromazine, aminazine, chlorpromazine, Chlorpromazine hydrochloride, Hibernating phosphorus, C17H19ClN2S·HCl

Numbering system

CAS number:69-09-0

MDL number:MFCD00012654

EINECS number:200-701-3

RTECS number:200-701-3

BRN number:3779989

PubChem number:24277891

Physical property data

1. Character:White or milky white crystalline powder, hygroscopic, slightly odorous, extremely bitter in taste, easily oxidized in air or Gradates to reddish brown in sunlight

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC):179-180℃（ 194-196℃ ).

5. Boiling point (ºC,Normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flash point (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): No��determined

11. Vapor pressure (kPa,25ºC): Unsure

12. Saturated vapor pressure (kPa,60ºC): Unsure

13. Heat of combustion (KJ/mol): Unsure

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain

17. Explosion limit (%,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility:Easily soluble in water, ethanol, chloroform, insoluble in ether and benzene

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 31.8

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 339

10. Isotopic origin�Quantity: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

Keep it sealed and protected from light.

Synthesis method

By2-Chlorophenothiazine[92-39-7]Condensation and salt formation. 1.Condensation in reaction Add 2- Chlorophenothiazine and toluene, then add sodium hydroxide, stir and heat to reflux, remove moisture, and in 110℃ dripping1-Chlorine-3-Toluene solution of dimethylaminopropane, the reactant is decompressed to recover toluene to obtain chlorpromazine,C17H19CIN2S,[50-53-3]. 2.Salt Stir and heat chlorpromazine and isopropyl alcohol until 40℃, access dry hydrogen chloride to pH 4-5, and the chlorpromazine hydrochloride is obtained as a salt.

Purpose

has central stabilizing, antiemetic, anticonvulsant, anti- Adrenaline and other effects. Used to treat schizophrenia and mania. Anxiety disorders, mental disorders, nausea, vomiting, etc. It can also be used for artificial hibernation and low-temperature anesthesia.

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DDT

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	013F
Molecular formula	C14H9Cl5
Molecular weight	354.49
label	4,4′-DDT, DDT powder, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane, 2,2-bis(p-chlorophenyl)-1,1,1-trichloroethane, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane, 1,1-bis(4-chlorophenyl)2,2,2-trichloroethane, 4,4′-DDT, Agritan, Azotox, Bovidermol, Clofenotan, Deoval, Detox, Detoxan, Dibovin, Dicophane, Dodat, Organochlorine pesticides

Numbering system

CAS number:50-29-3

MDL number:MFCD00000802

EINECS number:200-024-3

RTECS number:KJ3325000

BRN number:1882657

PubChem number:24864083

Physical property data

1. Properties: The pure product is white crystal, and the industrial product is white granular or light yellow block containing oil

2. Density (g/mL, 25/4℃): 1.55

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 107-110 °C (lit.)

5. Boiling point (ºC, normal pressure): 260℃

6. Boiling point (ºC, 5.2 kPa): Undetermined

7. Refractive index: Undetermined

p>

8. Flash point (ºC): 72 °C

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature ( ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined 19. Solubility: Easily soluble in pyridine and dioxane. �The solubilities in 100ml of solvent are: acetone 58g, carbon tetrachloride 45g, chlorobenzene 74g, ethanol 2g, and ether 28g. Insoluble in water, dilute acids and alkalis

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 84.50

2. Molar volume (cm³/mol): 244.1

3. Isotonic specific volume (90.2K ): 638.9

4. Surface tension (dyne/cm): 46.8

5. Polarizability (10-24cm3): 33.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 250

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

50% gel suspension, 2kg plastic bottle, plus carton, net weight 20kg per box. Contact with alkaline substances should be avoided, stored in a cool place, and the packaging equipment should be sealed to prevent fire.

Synthesis method

It is derived from the condensation of trichloroacetaldehyde and monochlorobenzene in the presence of fuming sulfuric acid. Put trichloroacetaldehyde and chlorobenzene into the condensation pot, and add fuming sulfuric acid dropwise while stirring. The condensed material is allowed to stand for stratification, and the waste acid is discharged. The acidic DDT-chlorobenzene solution is washed with hot water and then with sodium hydroxide solution. Then the chlorobenzene is recovered by distillation, and the residue, namely molten DDT, is placed in a drum crystallizer for cooling and crystallization to obtain the finished product. The condensation reaction is carried out at 10-23°C. During the condensation, the waste acid produced by the condensation reaction (including p-chlorobenzenesulfonic acid generated by the side reaction) is added at the same time, or the side reaction is suppressed to reduce the amount of p-chlorobenzenesulfonic acid generated, and sulfuric acid is added dropwise. The time is about 2.5h. The para-position content of first-grade DDT raw powder is ≥74.0%.

Purpose

DDT was once one of the widely used pesticides. It has stomach poisoning and contact effects, and can be processed into powder, emulsion or oil. In our country, it was mainly used to control cotton bud and boll-stage pests, fruit tree borers, field crop armyworms, vegetable cabbage caterpillars, etc. It is also used for environmental sanitation and prevention of mosquitoes, flies, bed bugs, etc. DDT is not easily degraded into non-toxic substances, and it can easily accumulate during use and pollute the environment. DDT remaining in plants can enter the bodies of humans and animals through the “food chain” or other ways, causing poisoning and affecting human health. Its use is currently prohibited. However, some industrial uses of DDT, including pesticides using it as raw material, also require DDT as an intermediate, such as dicofol.

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Miparin dihydrochloride

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FH
Molecular formula	C23H32Cl3N3O
Molecular weight	472.88
label	malaria flat, Quinacine dihydrochloride, malaria diping, Miparin hydrochloride, Adipine dihydrochloride, Quinacine dihydrochloride, Quinacrine

Numbering system

CAS number:69-05-6

MDL number:MFCD00012659

EINECS number:200-700-8

RTECS number:AR7875000

BRN number:4834013

PubChem number:24278192

Physical property data

1. Characteristics: bright yellow Crystalline powder. Odorless. Bitter taste. Hygroscopic. Sensitive to light.

2. Density (g/mL,25/4 ℃): Undetermined

3. Relative vapor density ( g/mL,Air =1): Not OK

4. Melting point (ºC): 248～250℃ (decomposition)

5. Boiling point (ºC,Normal pressure): Not OK

6. Boiling point (ºC,5.2kPa): Not OK

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC) : Undetermined

11. Vapor pressure (kPa,25ºC): Not OK

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Not OK

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /Water) distribution coefficient The logarithmic value of : undetermined

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V) : Undetermined

19. Solubility: 1gProduct dissolves in approx.35mlWater, more soluble In hot water, slightly soluble in ethanol and methanol, insoluble in ether, benzene and acetone. 1%Aqueous solutionpHapproximately4.5. Under ultraviolet light, the yellow aqueous solution can display bright fluorescence.

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Number of hydrogen bond donors:3

2. Hydrogen Bonding Number of receptors: 4

3. Rotatable Number of chemical bonds: 9

4. Interchange Number of isomers: 2

5. Topological molecules Polar surface area (TPSA）：37.4

6. Heavy atoms Quantity: 30

7. Surface charge:0

8. Complexity ：461

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:1

12. Determine the number of stereocenters of chemical bonds:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 3

Properties and stability

None

Storage method

This product should be sealed, dry and protected from light.

Synthesis method

None

Purpose

Organic synthesis. Biochemical research. For microscope use. Pharmaceutical antimalarial and antiparasitic drugs.

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17α-hydroxyprogesterone

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FG
Molecular formula	C21H30O3
Molecular weight	330.46
label	17α-Hydroxyprogesterone, 17α-hydroxypregnant-4-ene-3,20-dione, Hydroxyprogesterone, Pregnant-4-en-17α-ol-3,20-dione, 17hydroxyprogesterone, 17α-Hydroxyprogesterone, 17α-Hydroxypregnenedione, 17-hydroxypregnanthin, 4-Pregnen-17α-ol-3,20-dione, 17α-Hydroxy-4-pregnene-3,20-dione

Numbering system

CAS number:68-96-2

MDL number:MFCD00003659

EINECS number:200-699-4

RTECS number:TU5060000

BRN number:3218109

PubChem number:24278469

Physical property data

1. Character: White diamond-shaped or hexagonal leaf-shaped crystals. 2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 221℃ ( 219-220℃). 5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: 90 ° (C=1, CHCl3)

p>

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC ): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Easily soluble in ethanol and ether, soluble in benzene, insoluble in water.

Toxicological data

Reproduction: Female intramuscular TDLo: 65 mg/kgSEX/DURATION: female 8-32 week(s) after conception; Rabbit subcutaneous injection TDLo: 5 mg/kgSEX/DURATION: female 1 day(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 92.52

2. Molar volume (cm³/mol): 286.0

3. Isotonic specific volume (90.2K ): 747.2

4. Surface tensionForce (dyne/cm): 46.5

5. Polarizability (10-24cm3): 36.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 10

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 635

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

For biochemical research. Preparation of progesterone derivatives.

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N-acetyl-L-proline

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FF
Molecular formula	C7H11NO3
Molecular weight	157.18
label	N-Acetyl-L-proline, 1-Acetyl-L-proline, Acetyl-L-proline, Nalpha-Acetyl-L-proline

Numbering system

CAS number:68-95-1

MDL number:MFCD00020837

EINECS number:200-698-9

RTECS number:None

BRN number:83200

PubChem number:24890453

Physical property data

1. Appearance: White needle-like crystal

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL , air=1): Uncertain

4. Melting point (ºC): 115-117

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): -86 º (c=1 EtOH)

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor Pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

p>

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) partition coefficient The logarithmic value of p>

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 37.32

2. Molar volume (cm³/mol): 123.2

3. Isotonic specific volume (90.2K ): 332.3

4. Surface tension (dyne/cm): 52.8

5. Polarizability (10-24cm3): 14.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 57.6

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 190

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in a sealed, cool, dry place.

Synthesis method

None

Purpose

It is an important fine organic chemical intermediate and is widely used in medicine, pesticides, chemical industry and other fields.

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hypoxanthine

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FE
Molecular formula	C5H4N4O
Molecular weight	136.11
label	1,7-dihydro-6H-purin-6-one, 6-Hydroxypurine, 6-Hydroxypurine, 6-oxopurine, Hypoxanthine, 6-hypoxanthine, Purine-6(1H)-one

Numbering system

CAS number:68-94-0

MDL number:MFCD00005725

EINECS number:200-697-3

RTECS number:UP0791000

BRN number:5811

PubChem number:24895850

Physical property data

1. Character:Needle crystal

2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC):>360

5. Boiling point (ºC,Normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Unsure

7. Refractive index:Not sure

8. Flash point (ºC): Unsure

9. Specific optical rotation (º): Unsure

10. Autoignition point or ignition temperature (ºC): Unsure

11. Vapor pressure (kPa,25ºC): Unsure

12. saturated vapor Pressure (kPa,60ºC ): Unsure

13. Heat of combustion (KJ/mol): Unsure

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain

17. Explosion limit ( %,V/V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility:Almost insoluble in water0.078/100m1(19℃)1.4g/100ml(100℃) . Soluble in dilute acids and alkalis, such as 0.5mol/LSulfuric acid or10mol /LSodium hydroxide

Toxicological data

Acute toxicity: mouse abdominal D50: 750 mg/kg;
Reproduction: mouse abdominal cavityTDLo：600 mg/kgSEX/DURATION : female 13 day(s) after conception;
Mouse abdominal cavityTDLo：1 gm/kgSEX/DURATION : female 13 day(s) after conception;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 8

6. Topological molecule polar surface area 70.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 190

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Together with xanthine, it is widely present in animals and plants. The inosinic acid of its nucleotide is the precursor of the purine nucleotide of nucleic acid. It is also the parent body of caffeine. Hypoxanthine can be produced through the action of adenine deaminase or nitrite.Purine deamination can also result in the phosphorolysis of inosine through nucleoside phosphorylase.

Storage method

This product should be kept sealed, cool and dry.

Synthesis method

Ethyl cyanoacetate, sodium ethoxide, and thiourea The combination reaction gives 2- Thiol-4-Amino -6-Hydroxypyrimidine , and then undergo nitrosation, reduction, elimination, and cyclization to obtain 6-Hydroxypurine.

Purpose

Anti-malignant tumor drugs6-Intermediate of mercaptopurine.

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D-cycloserine

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	01FD
Molecular formula	C3H6N2O2
Molecular weight	102.09
label	(R)-(+)-cycloserine, D-4-amino-3-isoxazolidinone, cycloserine, D-4-amino-3-isoxazolidinone, 4-Amino-3-isoxazolidinone, (R)-4-Amino-3-isoxazolidinone, Cycloserine, Genetic engineering research reagents

Numbering system

CAS number:68-41-7

MDL number:MFCD00005353

EINECS number:200-688-4

RTECS number:NY2975000

BRN number:80798

PubChem number:24892907

Physical property data

1. Properties: Colorless needle-like or leaf-like crystals or amorphous powder

2. Density (g/mL, 25/4℃): Uncertain

3 . Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 155-156 (decomposition)

5. Boiling point (ºC, normal Pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point ( ºC): Uncertain

9. Specific optical rotation (º): 111 º (C=5, 2N NaOH)

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper explosion limit (%, V/V): Uncertain

18. The lower explosion limit (%, V/V): Uncertain

19. Solubility: Soluble in water, slightly soluble in methanol, ethanol, butanol, propylene glycol, isopropyl alcohol and acetone, hardly soluble or insoluble in toluene, Chloroform, ether, pyridine, benzene and carbon disulfide

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 22.47

2. Molar volume (cm³/mol): 79.8

3. Isotonic specific volume (90.2K ): 201.9

4. Surface tension (dyne/cm): 40.8

5. Polarizability (10-24cm3): 8.90

Computing chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecular polar surface area (TPSA): 64.4

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 92.9

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond establishment Number of stereocenters: 0

14, Number of uncertain chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

Cycloserine can be prepared by fermentation or direct synthesis. The bacteria produced by the fermentation method is Actinomyces laven-dulae, and the fermentation medium is dextrin, glucose, starch, soybean cake powder, yeast powder, ammonium sulfate, ammonium nitrate, calcium carbonate, sodium chloride, magnesium sulfate and soybean oil, etc. The synthesis method is to react β-aminooxyalanine ethyl ester dihydrochloride with potassium hydroxide to obtain cycloserine through cyclization.

Purpose

Antibiotic drugs. For infections caused by drug-resistant Mycobacterium tuberculosis.

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β-estradiol

Published by BDMAEE on 2024-04-23 | Permalink

Structural formula

Business number	013E
Molecular formula	C18H24O2
Molecular weight	272.38
label	Ovocylin, Dihydroxyestrin, Estr-1,3,5-(10)-triene-3β,17β-diol, 1,3,5-Estratriene-3,17β-diol, 17β-Estradiol, 3,17β-Dihydroxy-1,3,5(10)-estratriene, Dihydrofolliculin, Estradiol; Estradiol; Courtship diol; Dihydroxyestradiol; Estradiol, Enzymes·Proteins·Peptides

Numbering system

CAS number:50-28-2

MDL number:MFCD00003693

EINECS number:200-023-8

RTECS number:KG2975000

BRN number:1914275

PubChem number:24278426

Physical property data

1. Properties: White or milky white leaf-like or needle-like crystals (ethanol solution); odorless. Stable in air

2. Density (g/mL, 25/4℃): Not determined

3. Relative vapor density (g/mL, air=1): Not determined Determined

4. Melting point (ºC): 178-179 °C (lit.)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: 80.4 ° (C=1, Dioxane)

8. Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water) distribution Log value of coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined 19. Solubility : Easily soluble in ethanol, soluble in acetone, chloroform, dioxane and alkali solution, slightly soluble in vegetable oil, almost insoluble in water

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes

On eyes: Irritating effects.

Sensitization: No known sensitizing effects.

Ecological data

General notes

Water hazard level 3 (Germany�Example) (Self-assessment via list) This substance is extremely hazardous to water.

Do not allow this product to come into contact with groundwater, waterways or sewage systems, even in small amounts.

Even extremely small amounts of product seeping into the ground can pose a hazard to drinking water

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 79.50

2. Molar volume (cm³/mol): 232.6

3. Isotonic specific volume (90.2K ): 615.4

4. Surface tension (dyne/cm): 48.9

5. Polarizability (10-24cm3): 31.51

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 382

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 5

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

The effect of estrogen can promote the development of secondary sexual characteristics and the final formation of sexual organs in underage girls. In adult women, in addition to maintaining the above-mentioned secondary sexual characteristics, it can also cause a series of changes in the endometrium to produce cyclic menstruation. It can also increase the activity of the uterus and fallopian tubes and increase the sensitivity of uterine muscles to oxytocin. In addition, estrogen can also increase the deposition of bone calcium salts and accelerate epiphyseal closure. In large doses, it can increase serum triglycerides and phospholipids, causing water and sodium retention. At larger doses, estrogen can also act on the hypothalamic-pituitary system, inhibit the secretion of gonadotropins and prolactin, and offset the main effects of androgens.

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

1. Use androst-4-en-19-desmethyl-3,17-dione to introduce bromine at the 2- and 6-positions through bromination, and then add bromine to 4-ethyl-2-methylpyridine In the presence of dehydrobromination (elimination), 2,4,6-androstatriene-19-desmethyl-3,17-dione is generated, which is then cracked at high temperature to generate estrone, and then lithium aluminum hydrogen is reduced to produce Get this product.

Purpose

1. Intermediates of estradiol valerate and estradiol benzoate.

2.Estrogen drugs. It is used for functional uterine bleeding, primary amenorrhea, menopausal syndrome and prostate cancer.

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