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Substance Name: 1H-Pyrazole-4-acetic acid, 1-(6-chloro-2-benzothiazolyl)-5-hydroxy-3-methyl-
RN: 84968-79-6
InChIKey: PFZOTEKBNVEQGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-Cl-N3-O3-S

Molecular Weight

  • 323.759
 
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Names and Synonyms

Synonym

  • 1-(6-Chloro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetic acid

Systematic Name

  • 1H-Pyrazole-4-acetic acid, 1-(6-chloro-2-benzothiazolyl)-5-hydroxy-3-methyl-

Registry Numbers

CAS Registry Number

  • 84968-79-6

System Generated Number

  • 0084968796

Structure Descriptors

InChI

1S/C13H10ClN3O3S/c1-6-8(5-11(18)19)12(20)17(16-6)13-15-9-3-2-7(14)4-10(9)21-13/h2-4,20H,5H2,1H3,(H,18,19)

InChIKey

PFZOTEKBNVEQGA-UHFFFAOYSA-N

Smiles

Cc1c(c(n(n1)c2nc3ccc(cc3s2)Cl)O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 700mg/kg (700mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 21, Pg. 869, 1982.