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Substance Name: 1H-Pyrazole-4-acetic acid, 3,5-dimethyl-1-(6-fluoro-4-methyl-2-quinolinyl)-
RN: 109274-62-6
InChIKey: WCWNUBKSZZUXQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F-N3-O2

Molecular Weight

  • 313.3304
 
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Names and Synonyms

Synonyms

  • 3,5-Dimethyl-1-(6-fluoro-4-methyl-2-quinolinyl)-1H-pyrazole-4-acetic acid
  • BRN 5617770

Systematic Name

  • 1H-Pyrazole-4-acetic acid, 3,5-dimethyl-1-(6-fluoro-4-methyl-2-quinolinyl)-

Registry Numbers

CAS Registry Number

  • 109274-62-6

System Generated Number

  • 0109274626

Structure Descriptors

InChI

1S/C17H16FN3O2/c1-9-6-16(19-15-5-4-12(18)7-13(9)15)21-11(3)14(8-17(22)23)10(2)20-21/h4-7H,8H2,1-3H3,(H,22,23)

InChIKey

WCWNUBKSZZUXQD-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1cc(cc2)F)n3c(c(c(n3)C)CC(=O)O)C

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. 25, Pg. 945, 1986.