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Substance Name: Ergotoxine esylate
RN: 8047-28-7
UNII: SHB38I714P
InChIKey: SWXRNTKMPGEPMV-WKUNPOSJSA-N

Classification Code

  • Reproductive Effect

Molecular Weight

  • 671.8115
 
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Names and Synonyms

Name of Substance

  • Ergotoxine esylate

Synonyms

  • Ecboline ethanesulfonate
  • Ergotoxine ethanesulfonate
  • Ergotoxine ethansulfonate
  • Erogtoxine ethanesulphonate
  • UNII-SHB38I714P

Systematic Name

  • Ergotoxine, monoethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 8047-28-7

FDA UNII

  • SHB38I714P

System Generated Number

  • 0008047287

Structure Descriptors

InChI

1S/C31H39N5O5.C2H6O3S/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;1-2-6(3,4)5/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);2H2,1H3,(H,3,4,5)/t19?,23-,24+,26+,30-,31+;/m1./s1

InChIKey

SWXRNTKMPGEPMV-WKUNPOSJSA-N

Smiles

CCS(=O)(=O)O.CC(C)[C@@H]1N2C(=O)[C@](NC(=O)C3CN(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
mouse LD50 intravenous 40mg/kg (40mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR
Handbuch der Experimentellen Pharmakologie. Vol. 6, Pg. 103, 1938.