Product Name

  • Name

    ERGOCRISTININE METHANESULFONATE

  • EINECS
  • CAS No. 74137-64-7
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C35H39N5O5•CH4O3S
  • Boiling Point 912.8°Cat760mmHg
  • Molecular Weight 705.90
  • Flash Point 505.8°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 74137-64-7 (ERGOCRISTININE METHANESULFONATE)
  • Hazard Symbols
  • Synonyms Ergotaman-3,6,18-trione, 12-hydroxy-2-(1-methylethyl)-5-(phenylmethyl)-, (5-alpha,8-alpha)-, monomethanesulfonate (salt);
  • PSA
  • LogP

Ergocristinine methanesulfonate Chemical Properties

Empirical Formula of Ergocristinine methanesulfonate (CAS NO.74137-64-7): C36H43N5O8S
Molecular Weight: 705.8203 
Flash Point: 505.8 °C
Enthalpy of Vaporization: 139.04 kJ/mol
Boiling Point: 912.8 °C at 760 mmHg
Structure of Ergocristinine methanesulfonate (CAS NO.74137-64-7):
                          
Canonical SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CS(=O)(=O)O
Isomeric SMILES: CC(C)[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.CS(=O)(=O)O
InChI: InChI=1S/C35H39N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,27+,28-,29+,34-,35+;/m1./s1
InChIKey: WECZKEGDCUZFPL-VZGXJIAFSA-N

Ergocristinine methanesulfonate Toxicity Data With Reference

1.    

ipr-mus LD50:>600 mg/kg

     BAXXDU    British UK Patent Application. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #2025960 .

Ergocristinine methanesulfonate Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition Ergocristinine methanesulfonate (CAS NO.74137-64-7) emits toxic vapors of NOx and SOx.

Ergocristinine methanesulfonate Specification

 Ergocristinine methanesulfonate , its cas register number is 74137-64-7. It also can be called Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha,8-alpha)-, monomethanesulfonate (salt) .

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