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Substance Name: Ergocornine
RN: 564-36-3
UNII: 7W36B25464
InChIKey: UJYGDMFEEDNVBF-OGGGUQDZSA-N

Note

  • A component of ergotoxine.

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C31-H39-N5-O5

Molecular Weight

  • 561.679
 
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Names and Synonyms

Name of Substance

  • Ergocornine

Synonyms

  • 12'-Hydroxy-2',5'-alpha-bis(1-methylethyl)ergotaman-3',6',18-trione
  • 4-25-00-00963 (Beilstein Handbook Reference)
  • BRN 0078784
  • EINECS 209-272-7
  • Ergocornin
  • Ergocornine
  • NSC 407316
  • UNII-7W36B25464

Systematic Names

  • Ergocornine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-

Registry Numbers

CAS Registry Number

  • 564-36-3

FDA UNII

  • 7W36B25464

System Generated Number

  • 0000564363

Structure Descriptors

InChI

1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

InChIKey

UJYGDMFEEDNVBF-OGGGUQDZSA-N

Smiles

C12=C[C@@H](C(N[C@@]3(C(N4[C@@](O3)([C@@H]3CCCN3C([C@@H]4C(C)C)=O)O)=O)C(C)C)=O)C[N@@]([C@@H]2Cc2c[nH]c3c2c1ccc3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 1170ug/kg (1.17mg/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.