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Substance Name: 1H-Indole-3-acetic acid, 2,3-dihydro-alpha-cyano-2-oxo-
RN: 54744-67-1
InChIKey: DQGDHSNPSSYJGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-N2-O3

Molecular Weight

  • 216.195
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-alpha-cyano-2-oxo-1H-indole-3-acetic acid
  • 4-22-00-03285 (Beilstein Handbook Reference)
  • BRN 0217605

Systematic Name

  • 1H-Indole-3-acetic acid, 2,3-dihydro-alpha-cyano-2-oxo-

Registry Numbers

CAS Registry Number

  • 54744-67-1

System Generated Number

  • 0054744671

Structure Descriptors

InChI

1S/C11H8N2O3/c12-5-7(11(15)16)9-6-3-1-2-4-8(6)13-10(9)14/h1-4,7,9H,(H,13,14)(H,15,16)

InChIKey

DQGDHSNPSSYJGU-UHFFFAOYSA-N

Smiles

c12[C@@H]([C@@H](C(O)=O)C#N)C(Nc1cccc2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 432mg/kg (432mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974.