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Substance Name: Ergocryptine
RN: 511-09-1
UNII: 6WFB60157B
InChIKey: YDOTUXAWKBPQJW-NSLWYYNWSA-N

Note

  • A component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses.

Molecular Formula

  • C32-H41-N5-O5

Molecular Weight

  • 575.7059
 

Classification Codes

  • Dopamine Agents
  • Dopamine Agonists
  • Neurotransmitter Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Ergocryptine

Synonyms

  • 12'-Hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotaman-3',6',18-trione
  • 4-25-00-00964 (Beilstein Handbook Reference)
  • alpha-Ergocryptine
  • alpha-Ergokryptine
  • BRN 0078810
  • EINECS 208-121-2
  • NSC 169479
  • UNII-6WFB60157B

Systematic Names

  • 12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione
  • Ergocryptine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 511-09-1

FDA UNII

  • 6WFB60157B

System Generated Number

  • 0000511091

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+/m1/s1

InChIKey

YDOTUXAWKBPQJW-NSLWYYNWSA-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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 950ug/kg (0.95mg/kg)   United States Patent Document. Vol. #3752814,