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Substance Name: Indole-3-carboxylic acid, 1-benzyl-
RN: 27018-76-4
InChIKey: LVYDDRHDOKXFMW-UHFFFAOYSA-N

Molecular Formula

  • C16-H13-N-O2

Molecular Weight

  • 251.284
 
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Names and Synonyms

Synonyms

  • 1-Benzylindole-3-carboxylic acid
  • 5-22-03-00037 (Beilstein Handbook Reference)
  • BRN 0404957

Systematic Name

  • Indole-3-carboxylic acid, 1-benzyl-

Registry Numbers

CAS Registry Number

  • 27018-76-4

System Generated Number

  • 0027018764

Structure Descriptors

InChI

1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)

InChIKey

LVYDDRHDOKXFMW-UHFFFAOYSA-N

Smiles

c12c(c(C(O)=O)cn1Cc1ccccc1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03773,