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Substance Name: Ergocristine
RN: 511-08-0
UNII: 3E58HO2T0U
InChIKey: HEFIYUQVAZFDEE-MKTPKCENSA-N

Note

  • An ergot alkaloid; one of the three components of ergotoxine; has alpha blocking action, stimulates smooth muscles & antagonizes serotonin; used as oxytocic & in peripheral disorders.

Molecular Formula

  • C35-H39-N5-O5

Molecular Weight

  • 609.7231
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Ergocristine

Synonyms

  • 4-25-00-00966 (Beilstein Handbook Reference)
  • BRN 0079046
  • EINECS 208-120-7
  • Ergocrystine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha)-
  • NSC 93743
  • UNII-3E58HO2T0U

Systematic Names

  • Ergocristine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 511-08-0

FDA UNII

  • 3E58HO2T0U

Other Registry Numbers

  • 1080515-62-3
  • 22973-77-9
  • 24177-05-7

System Generated Number

  • 0000511080

Structure Descriptors

InChI

1S/C35H39N5O5/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/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1

InChIKey

HEFIYUQVAZFDEE-MKTPKCENSA-N

Smiles

CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 2150ug/kg (2.15mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 304, 1948.