Toluene diisocyanate manufacturer Knowledge Ergometrine Maleate Ergometrine Maleate

Ergometrine Maleate Ergometrine Maleate

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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/26998

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