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Substance Name: Benzoic acid, 5-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino)methyl)-2-hydroxy-, monosodium salt
RN: 66913-45-9
InChIKey: QTQPRRJXKAYUHH-DOELHFPHSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-N3-O4.Na

Molecular Weight

  • 373.3424
 
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Names and Synonyms

  • Benzoic acid, 5-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino)methyl)-2-hydroxy-, monosodium salt

Registry Numbers

CAS Registry Number

  • 66913-45-9

System Generated Number

  • 0066913459

Molecular Formulas

Molecular Formula

  • C19-H16-N3-O4.Na

Molecular Formula Fragments

  • C19-H16-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H17N3O4.Na/c1-12-17(18(24)22(21(12)2)14-6-4-3-5-7-14)20-11-13-8-9-16(23)15(10-13)19(25)26;/h3-11,23H,1-2H3,(H,25,26);/q;+1/p-1/b20-11+;

InChIKey

QTQPRRJXKAYUHH-DOELHFPHSA-M

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)/N=C/c3ccc(c(c3)C(=O)[O-])O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg) BEHAVIORAL: ANALGESIA Annales Pharmaceutiques Francaises. Vol. 35, Pg. 489, 1977.