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Substance Name: Dihydro-alpha-ergocryptine esilate
RN: 60745-56-4
UNII: P83M1U002J
InChIKey: HHRYMMKZDZVMST-PJLVGBPESA-N

Molecular Weight

  • 687.8541
 
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Names and Synonyms

Name of Substance

  • Dihydro-alpha-ergocryptine esilate

Synonyms

  • Dihydro-alpha-ergocryptine esilate
  • Dihydro-alpha-ergocryptine esylate
  • Dihydroergocryptine ethanesulfonate
  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-, monoethanesulfonate (salt)
  • Ethanesulfonic acid, compd. with (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione (1:1)
  • UNII-P83M1U002J

Registry Numbers

CAS Registry Number

  • 60745-56-4

FDA UNII

  • P83M1U002J

System Generated Number

  • 0060745564

Structure Descriptors

InChI

1S/C32H43N5O5.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/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);2H2,1H3,(H,3,4,5)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1

InChIKey

HHRYMMKZDZVMST-PJLVGBPESA-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]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O