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Substance Name: 1H-Pyrazole-4-acetic acid, 5-hydroxy-3-methyl-1-(6-nitro-2-benzothiazolyl)-
RN: 84968-81-0
InChIKey: KOJBQDFVVJEDMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-N4-O5-S

Molecular Weight

  • 334.311
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 84968-81-0

System Generated Number

  • 0084968810

Structure Descriptors

InChI

1S/C13H10N4O5S/c1-6-8(5-11(18)19)12(20)16(15-6)13-14-9-3-2-7(17(21)22)4-10(9)23-13/h2-4,20H,5H2,1H3,(H,18,19)

InChIKey

KOJBQDFVVJEDMZ-UHFFFAOYSA-N

Smiles

Cc1c(c(n(n1)c2nc3ccc(cc3s2)[N+](=O)[O-])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.