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Substance Name: alpha-Ergocryptine esylate
RN: 6034-10-2
UNII: 60972B4V0Y
InChIKey: UCFBRQKYCUAVAD-DRHOTACKSA-N

Molecular Formula

  • C32-H41-N5-O5.C2-H6-O3-S

Molecular Weight

  • 685.8383
 
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Names and Synonyms

Name of Substance

  • alpha-Ergocryptine esylate

Synonyms

  • alpha-Ergocryptine esylate
  • Ergocryptine monoethanesulfonate (salt)
  • Ergocryptine, monoethanesulfonate
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-, monoethanesulfonate (salt)
  • Ethanesulfonic acid, compd. with (5'alpha)-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione (1:1)
  • UNII-60972B4V0Y

Registry Numbers

CAS Registry Number

  • 6034-10-2

FDA UNII

  • 60972B4V0Y

System Generated Number

  • 0006034102

Structure Descriptors

InChI

1S/C32H41N5O5.C2H6O3S/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;1-2-6(3,4)5/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);2H2,1H3,(H,3,4,5)/t20-,24-,25+,26+,31-,32+;/m1./s1

InChIKey

UCFBRQKYCUAVAD-DRHOTACKSA-N

Smiles

CCS(=O)(=O)O.CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O