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Substance Name: 4-(4-Methylbenzoyl)-1-indancarboxylic acid
RN: 56461-34-8
InChIKey: WZAJBIXBRFTJRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-O3

Molecular Weight

  • 280.321
 
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Names and Synonyms

Name of Substance

  • 4-(4-Methylbenzoyl)-1-indancarboxylic acid

Synonyms

  • 4-(4-Methylbenzoyl)-1-indancarboxylic acid
  • 4-(p-Toluoyl)-1-indancarboxylic acid
  • BRN 2143608
  • TAI-908

Systematic Names

  • 1-Indancarboxylic acid, 4-(p-toluoyl)-
  • 1H-Indene-1-carboxylic acid, 2,3-dihydro-4-(4-methylbenzoyl)-

Registry Numbers

CAS Registry Number

  • 56461-34-8

System Generated Number

  • 0056461348

Structure Descriptors

InChI

1S/C18H16O3/c1-11-5-7-12(8-6-11)17(19)15-4-2-3-13-14(15)9-10-16(13)18(20)21/h2-8,16H,9-10H2,1H3,(H,20,21)

InChIKey

WZAJBIXBRFTJRC-UHFFFAOYSA-N

Smiles

C1[C@@H](c2cccc(c2C1)C(c1ccc(cc1)C)=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 273mg/kg (273mg/kg) GASTROINTESTINAL: PERITONITIS

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

BLOOD: APLASTIC ANEMIA
Arzneimittel-Forschung. Drug Research. Vol. 32, Pg. 113, 1982.
rat LD50 oral 244mg/kg (244mg/kg) GASTROINTESTINAL: PERITONITIS

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

BLOOD: APLASTIC ANEMIA
Arzneimittel-Forschung. Drug Research. Vol. 32, Pg. 113, 1982.