Demeclocycline Hydrochloride Demeclocycline Hydrochloride
Structural formula
| Business number | 01DG |
|---|---|
| Molecular formula | C21H21ClN2O8·HCl·0.5H2O |
| Molecular weight | 501.32 |
| label |
Desmethylchlorotetracycline hydrochloride, Chlorodemethyltetracyclin hydrochloride |
Numbering system
CAS number:64-73-3
MDL number:None
EINECS number:200-592-2
RTECS number:QI7700000
BRN number:5705221
PubChem ID:None
Physical property data
1. Appearance: powder
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):>245°C (dec.)
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
12.17. Explosion limit (%,V/V) : Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility:H2O: 20 mg/mL, clear, very deep greenish yellow
Toxicological data
Acute toxicity: Population test LDLo：69 mg/kg/4D-I; rat mouth ScriptLD50：2372 mg/kg;Large Mouse vein LD50: 94 mg/kg;
Mouse oral administration LD50: 2150 mg/kg; Mouse intravenous LD50: 275 mg/kg;
Reproduction: Rat UterusTDLo：50 mg/kgSEX/DURATION: female 1 day(s) pre-mating;
WomenUnknown pathTDLo ：48 ug/kgSEX/DURATION: female 28 weeks(s) after conception;
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 7
3. Number of hydrogen bond acceptors: 9
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 132
6. Topological molecular polar surface area 182
7. Number of heavy atoms: 33
8. Surface charge: 0
9. Complexity: 961
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: 2
Properties and stability
None yet
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
None yet
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Mouse oral administration LD50: 2150 mg/kg; Mouse intravenous LD50: 275 mg/kg;
Reproduction: Rat UterusTDLo：50 mg/kgSEX/DURATION: female 1 day(s) pre-mating;
WomenUnknown pathTDLo ：48 ug/kgSEX/DURATION: female 28 weeks(s) after conception;
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 7
3. Number of hydrogen bond acceptors: 9
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 132
6. Topological molecular polar surface area 182
7. Number of heavy atoms: 33
8. Surface charge: 0
9. Complexity: 961
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: 2
Properties and stability
None yet
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
None yet
Number of centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None yet
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None yet
Purpose
None yet
