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Substance Name: Indole-3-carboxamide, N-(2-(hydroxy(3-indolyl)methylthio)ethyl)-
RN: 55142-77-3
InChIKey: PJYCVBMPEOJLKW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N3-O2-S

Molecular Weight

  • 365.455
 
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Names and Synonyms

Synonyms

  • (Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethane
  • (Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethane [French]

Systematic Name

  • Indole-3-carboxamide, N-(2-(hydroxy(3-indolyl)methylthio)ethyl)-

Registry Numbers

CAS Registry Number

  • 55142-77-3

System Generated Number

  • 0055142773

Structure Descriptors

InChI

1S/C20H19N3O2S/c1-26-20(25,16-11-22-18-9-5-3-7-14(16)18)12-23-19(24)15-10-21-17-8-4-2-6-13(15)17/h2-11,21-22,25H,12H2,1H3,(H,23,24)

InChIKey

PJYCVBMPEOJLKW-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)[nH]c1)[C@@](CNC(c1c2c(cccc2)[nH]c1)=O)(SC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 453, 1974.