Methysergide maleate salt Methysergide maleate salt

Methiergot maleate structural formula

Methiergot maleate structural formula

Structural formula

Business number 03M1
Molecular formula C25H31N3O6
Molecular weight 469.53

Methysergide maleate,

aromatic compounds

Numbering system

CAS number:129-49-7

MDL number:MFCD00083185

EINECS number:204-950-9

RTECS number:KE5410000

BRN number:None

PubChem number:24278129

Physical property data

None yet

Toxicological data

1, acute toxicity: Rat oral LD5O: 200mg/kg

Rat intravenous LD5O: 125mg/kg

Mice orally LD5O: 581mg/kg

Mouse intravenously LD5O: 185mg/kg

Rabbit transvenous LD5O: 28mg/kg

2, reproductive toxicity: mice (female, before fertilization) abdominal cavity TDLO: 400ug/kg/1D

3 , mutagenicity: human lymphocyte genetic analysis and testing system: 100ug/kg/24H

Mouse peritoneal cytogenetic analysis and testing system: 200mg/kg

Mice intraperitoneal dominant lethality experiment: 100mg/kg

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 2

6. Topological molecule polar surface area 132

7. Number of heavy atoms: 34

8. Surface charge: 0

9. Complexity: 697

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None yet

Storage method

None yet

Synthesis method

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BDMAEE:Bis (2-Dimethylaminoethyl) Ether

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