Methysergide maleate salt Methysergide maleate salt
Structural formula
| Business number | 03M1 |
|---|---|
| Molecular formula | C25H31N3O6 |
| Molecular weight | 469.53 |
| label |
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
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Synthesis method
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Purpose
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