Ergometrine Maleate Ergometrine Maleate
Structural formula
| Business number | 03M2 |
|---|---|
| Molecular formula | C23H27N3O6 |
| Molecular weight | 441.48 |
| label |
Ergometrine maleate salt, aromatic compounds |
Numbering system
CAS number:129-51-1
MDL number:MFCD00082448
EINECS number:204-953-5
RTECS number:KE5250000
BRN number:None
PubChem ID:None
Physical property data
1. Character:White or slightly yellow fine crystalline powder
2. Freezing point:−20°C
Toxicological data
1, acute toxicity: infants intramuscular TDLO: 40ug/kg
The man did not report the contact routeLDLO: 15mg/kg
Mouse intravenously LD5O: 8260ug/kg
Porcine transvenous LDLO: 80mg/kg
2, other multiple dose toxicity: rat oral TDLO: 140mg/kg/4W-C
3, tumorigenic: oral administration in rats TDLO: 669gm/kg/96W-C
Rat oral TD: 773gm/kg/44W-C
4, reproductive toxicity: rats (female, lactating) subcutaneously TDLO: 100mg/kg/5D
, mutagenicity: hamster ovary sister chromatid exchange test system: 10nmoL
Ecological data
None yet
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA):143
7. Number of heavy atoms: 32
8. Surface charge: 0
9. Complexity: 654
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA):143
7. Number of heavy atoms: 32
8. Surface charge: 0
9. Complexity: 654
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 3
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 1
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
basic properties
White or slightly yellow fine crystalline powder. Slightly hygroscopic. The color becomes darker after being left for a long time and exposed to light. Decomposes when heated to 67°C. Slightly soluble in water and ethanol, insoluble in ether and chloroform. Specific rotation [α]D25+48°→+57° (C=1, solution). The median lethal dose (mouse, intravenous) is 8.26mg/kg.
Storage method
storage
Seal with argon and store in a cool, dry place away from light.
Synthesis method
None yet
Purpose
3. Purpose
For biochemical research. medicine.
m 0pt 54pt; TEXT-INDENT: -18pt; TEXT-ALIGN: left; mso-list: l0 level1 lfo1; tab-stops: list 54.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt : auto” align=left>10. Isotope atomic number: 0
11. Determine the number of atomic stereocenters: 3
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 1
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
basic properties
White or slightly yellow fine crystalline powder. Slightly hygroscopic. The color becomes darker after being left for a long time and exposed to light. Decomposes when heated to 67°C. Slightly soluble in water and ethanol, insoluble in ether and chloroform. Specific rotation [α]D25+48°→+57° (C=1, solution). The median lethal dose (mouse, intravenous) is 8.26mg/kg.
Storage method
storage
Seal with argon and store in a cool, dry place away from light.
Synthesis method
None yet
Purpose
3. Purpose
For biochemical research. medicine.