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Substance Name: 1H-Pyrazole-4-acetic acid, 1-(6-fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-, ethyl ester
RN: 92537-76-3
InChIKey: BFYGIYZJXKWNJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-F-N3-O3-S

Molecular Weight

  • 335.3576
 
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Names and Synonyms

Synonyms

  • 2-(4'-Carbethoxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole
  • BRN 4562772
  • Ethyl 1-(6-fluoro-2-benzothiazolyl)-5-hydroxy-3-methyl-1H-pyrazole-4-acetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 92537-76-3

System Generated Number

  • 0092537763

Structure Descriptors

InChI

1S/C15H14FN3O3S/c1-3-22-13(20)7-10-8(2)18-19(14(10)21)15-17-11-5-4-9(16)6-12(11)23-15/h4-6,21H,3,7H2,1-2H3

InChIKey

BFYGIYZJXKWNJZ-UHFFFAOYSA-N

Smiles

CCOC(=O)Cc1c(nn(c1O)c2nc3ccc(cc3s2)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 350mg/kg (350mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 23, Pg. 125, 1984.