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Substance Name: Ergohexine
RN: 62818-82-0
UNII: 0SXR8X3V6P
InChIKey: DPOQJZHKSWOGAE-QIOPVHFHSA-N

Molecular Formula

  • C31-H39-N5-O5

Molecular Weight

  • 561.6791
 
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Names and Synonyms

Name of Substance

  • Ergohexine

Synonyms

  • Alkaloid P1, of ergot
  • Ergohexine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(3-methylbutyl)-, (5'alpha)-
  • UNII-0SXR8X3V6P

Registry Numbers

CAS Registry Number

  • 62818-82-0

FDA UNII

  • 0SXR8X3V6P

System Generated Number

  • 0062818820

Structure Descriptors

InChI

1S/C31H39N5O5/c1-17(2)10-11-23-28(38)35-12-6-9-25(35)31(40)36(23)29(39)30(3,41-31)33-27(37)19-13-21-20-7-5-8-22-26(20)18(15-32-22)14-24(21)34(4)16-19/h5,7-8,13,15,17,19,23-25,32,40H,6,9-12,14,16H2,1-4H3,(H,33,37)/t19-,23+,24-,25+,30-,31+/m1/s1

InChIKey

DPOQJZHKSWOGAE-QIOPVHFHSA-N

Smiles

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