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Substance Name: Dihydroergocristine esilate
RN: 60745-55-3
UNII: QU259VS03Q
InChIKey: YDANHMOFLZTOLJ-SPZWACKZSA-N

Molecular Weight

  • 721.8713
 
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Names and Synonyms

Name of Substance

  • Dihydroergocristine esilate

Synonyms

  • Dihydroergocristine esilate
  • Dihydroergocristine esylate
  • Dihydroergocristine ethanesulfonate
  • Ergocristine, dihydro-, ethanesulfonate
  • Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, monoethanesulfonate (salt)
  • Ethanesulfonic acid, compd. with (5'alpha,10alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione (1:1)
  • UNII-QU259VS03Q

Registry Numbers

CAS Registry Number

  • 60745-55-3

FDA UNII

  • QU259VS03Q

System Generated Number

  • 0060745553

Structure Descriptors

InChI

1S/C35H41N5O5.C2H6O3S/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;1-2-6(3,4)5/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);2H2,1H3,(H,3,4,5)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1

InChIKey

YDANHMOFLZTOLJ-SPZWACKZSA-N

Smiles

CCS(=O)(=O)O.CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C