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Substance Name: 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)(ethylthio)methyl)-1-methyl-
RN: 56297-58-6
InChIKey: VYUYTWRZNURHBU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-Cl-N-O2-S

Molecular Weight

  • 359.875
 
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Names and Synonyms

Synonyms

  • 3-((2-Chlorophenyl)(ethylthio)methyl)-1-methyl-1H-indole-2-carboxylic acid
  • BRN 0496380

Systematic Name

  • 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)(ethylthio)methyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 56297-58-6

System Generated Number

  • 0056297586

Structure Descriptors

InChI

1S/C19H18ClNO2S/c1-3-24-18(12-8-4-6-10-14(12)20)16-13-9-5-7-11-15(13)21(2)17(16)19(22)23/h4-11,18H,3H2,1-2H3,(H,22,23)

InChIKey

VYUYTWRZNURHBU-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)n(c1C(O)=O)C)[C@@H](c1c(cccc1)Cl)SCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 885, 1976.