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Substance Name: o-Toluic acid, alpha-(3,4-dimethylbenzoyl)-
RN: 50439-02-6
InChIKey: ZOOUBGRVRUUFQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-O3

Molecular Weight

  • 268.3104
 
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Names and Synonyms

Synonyms

  • Acide (dimethyl-3'4' benzoyl) alpha-orthotoluique
  • Acide (dimethyl-3'4' benzoyl) alpha-orthotoluique [French]
  • alpha-(3,4-Dimethylbenzoyl)-o-toluic acid
  • Benzoic acid, 2-(2-(3,4-dimethylphenyl)-2-oxoethyl)-
  • BRN 2654023
  • F 1272

Systematic Name

  • o-Toluic acid, alpha-(3,4-dimethylbenzoyl)-

Registry Numbers

CAS Registry Number

  • 50439-02-6

System Generated Number

  • 0050439026

Structure Descriptors

InChI

1S/C17H16O3/c1-11-7-8-14(9-12(11)2)16(18)10-13-5-3-4-6-15(13)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)

InChIKey

ZOOUBGRVRUUFQX-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1C)C(=O)Cc2ccccc2C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 397, 1974.