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Substance Name: alpha-Ergocryptine mesylate
RN: 2706-66-3
UNII: AH6LF5DVAK
InChIKey: LVANISFDPWIHDR-DRHOTACKSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C32-H41-N5-O5.C-H4-O3-S

Molecular Weight

  • 671.812
 
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Names and Synonyms

Name of Substance

  • alpha-Ergocryptine mesylate

Synonyms

  • ECR
  • Ergocryptine mesylate
  • Ergocryptine methanesulfonate
  • Ergocryptine methanesulphonate
  • Ergokryptine methanesulfonate
  • UNII-AH6LF5DVAK

Systematic Names

  • Ergocryptine, monomethanesulfonate (salt)
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 2706-66-3

FDA UNII

  • AH6LF5DVAK

System Generated Number

  • 0002706663

Molecular Formulas

Molecular Formula

  • C32-H41-N5-O5.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C32-H41-N5-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C32H41N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,24-,25+,26+,31-,32+;/m1./s1

InChIKey

LVANISFDPWIHDR-DRHOTACKSA-N

Smiles

C=1[C@H](C[N@@]([C@@H]2Cc3c4c(cccc4C12)[nH]c3)C)C(=O)N[C@@]1(C(C)C)C(=O)N2[C@@H](CC(C)C)C(=O)N3CCC[C@@H]3[C@@]2(O)O1.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 188mg/kg (188mg/kg)   British UK Patent Application. Vol. #2025960,