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Substance Name: 2,3-Dimethylbenzoic acid
RN: 603-79-2
UNII: 7IRP8CA267
InChIKey: RIZUCYSQUWMQLX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • 2,3-Dimethylbenzoic acid

Synonyms

  • 2,3-Dimethylbenzoic acid
  • 4-09-00-01797 (Beilstein Handbook Reference)
  • BRN 0971590
  • EINECS 210-058-0
  • Hemellitic acid
  • NSC 407533
  • UNII-7IRP8CA267

Systematic Names

  • 2,3-Dimethylbenzoic acid
  • Benzoic acid, 2,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 603-79-2

FDA UNII

  • 7IRP8CA267

System Generated Number

  • 0000603792

Structure Descriptors

InChI

1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

RIZUCYSQUWMQLX-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)C)C)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: REGIDITY
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.