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Substance Name: Ergocryptinine
RN: 511-10-4
UNII: 919K69S85N
InChIKey: YDOTUXAWKBPQJW-JJANYQHSSA-N

Molecular Formula

  • C32-H41-N5-O5

Molecular Weight

  • 575.7059
 
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Names and Synonyms

Name of Substance

  • Ergocryptinine

Synonyms

  • EINECS 208-122-8
  • Isoergokryptine
  • UNII-919K69S85N

Systematic Names

  • (8alpha)-12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,8alpha)-

Registry Numbers

CAS Registry Number

  • 511-10-4

FDA UNII

  • 919K69S85N

System Generated Number

  • 0000511104

Structure Descriptors

InChI

1S/C32H41N5O5/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/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26-,31+,32-/m0/s1

InChIKey

YDOTUXAWKBPQJW-JJANYQHSSA-N

Smiles

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C