Epoxy curing agent Knowledge Ergometrine Maleate Ergometrine Maleate

Ergometrine Maleate Ergometrine Maleate

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Structural formula of 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.

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