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Substance Name: Benzoic acid, 6-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino)methyl)-2,3-dimethoxy-, sodium salt
RN: 66913-44-8
InChIKey: QJZZRGFRHCUXPE-RSRKELGKSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-N3-O5.Na

Molecular Weight

  • 417.395
 
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Names and Synonyms

  • Benzoic acid, 6-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino)methyl)-2,3-dimethoxy-, sodium salt

Registry Numbers

CAS Registry Number

  • 66913-44-8

System Generated Number

  • 0066913448

Molecular Formulas

Molecular Formula

  • C21-H20-N3-O5.Na

Molecular Formula Fragments

  • C21-H20-N3-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H21N3O5.Na/c1-13-18(20(25)24(23(13)2)15-8-6-5-7-9-15)22-12-14-10-11-16(28-3)19(29-4)17(14)21(26)27;/h5-12H,1-4H3,(H,26,27);/q;+1/p-1/b22-12+;

InChIKey

QJZZRGFRHCUXPE-RSRKELGKSA-M

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)/N=C/c3ccc(c(c3C(=O)[O-])OC)OC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg) BEHAVIORAL: ANALGESIA Annales Pharmaceutiques Francaises. Vol. 35, Pg. 489, 1977.
mouse LD50 oral > 7500mg/kg (7500mg/kg) BEHAVIORAL: ANALGESIA Annales Pharmaceutiques Francaises. Vol. 35, Pg. 489, 1977.