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Substance Name: beta-Dihydroergocryptine
RN: 19467-62-0
UNII: H6EBC7Y4PM
InChIKey: SBFXHXZNBNFPHV-PSELOKDRSA-N

Note

  • A sec-butyl group replaces the isobutyl group of dihydroergocryptine.

Molecular Formula

  • C32-H43-N5-O5

Molecular Weight

  • 577.7217
 
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Names and Synonyms

Name of Substance

  • beta-Dihydroergocryptine

Synonyms

  • EINECS 243-089-3
  • UNII-H6EBC7Y4PM

Systematic Name

  • 5'alpha(S)-sec-Butyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione

Registry Numbers

CAS Registry Number

  • 19467-62-0

FDA UNII

  • H6EBC7Y4PM

System Generated Number

  • 0019467620

Structure Descriptors

InChI

1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20+,22+,24+,25-,27-,31+,32-/m0/s1

InChIKey

SBFXHXZNBNFPHV-PSELOKDRSA-N

Smiles

CC[C@H](C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C