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Substance Name: 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-
RN: 78364-50-8
InChIKey: OIYKCMXAZBIMGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N3-O2-S

Molecular Weight

  • 287.3417
 
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Names and Synonyms

Synonyms

  • 1-(2-Benzothiazolyl)-3,5-dimethyl-1H-pyrazole-4-acetic acid
  • 2-(4-Carbonylmethyl-3,5-dimethylpyrazol-1-yl)benzothiazole

Systematic Name

  • 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 78364-50-8

System Generated Number

  • 0078364508

Structure Descriptors

InChI

1S/C14H13N3O2S/c1-8-10(7-13(18)19)9(2)17(16-8)14-15-11-5-3-4-6-12(11)20-14/h3-6H,7H2,1-2H3,(H,18,19)

InChIKey

OIYKCMXAZBIMGW-UHFFFAOYSA-N

Smiles

Cc1c(c(n(n1)c2nc3ccccc3s2)C)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 314, 1981.