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Substance Name: 1H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-
RN: 54778-22-2
InChIKey: FWZUBSMPPRSUSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H10-Cl-N-O2

Molecular Weight

  • 271.702
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-2-chloroindole-3-carboxylic acid
  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
  • 5-22-03-00040 (Beilstein Handbook Reference)
  • BRN 0481979

Systematic Name

  • 1H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-

Registry Numbers

CAS Registry Number

  • 54778-22-2

System Generated Number

  • 0054778222

Structure Descriptors

InChI

1S/C15H10ClNO2/c16-14-13(15(18)19)11-8-4-5-9-12(11)17(14)10-6-2-1-3-7-10/h1-9H,(H,18,19)

InChIKey

FWZUBSMPPRSUSD-UHFFFAOYSA-N

Smiles

c1(c(c2ccccc2n1c1ccccc1)C(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1344, 1977.
mouse LD50 oral > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1344, 1977.