Ergometrine Maleate Ergometrine Maleate

Structural formula

Business number	03M2
Molecular formula	C23H27N3O6
Molecular weight	441.48
label	Ergometrine maleate salt, aromatic compounds

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

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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.