ergometrine maleate ergometrine maleate

structural formula

• 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.

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.