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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-, methyl ester
RN: 66913-55-1
InChIKey: YANHHLULMYLYHW-YDZHTSKRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N3-O5

Molecular Weight

  • 409.4397
 
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Names and Synonyms

Synonyms

  • 5-25-14-00116 (Beilstein Handbook Reference)
  • BRN 0946363

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66913-55-1

System Generated Number

  • 0066913551

Structure Descriptors

InChI

1S/C22H23N3O5/c1-14-19(21(26)25(24(14)2)16-9-7-6-8-10-16)23-13-15-11-12-17(28-3)20(29-4)18(15)22(27)30-5/h6-13H,1-5H3/b23-13+

InChIKey

YANHHLULMYLYHW-YDZHTSKRSA-N

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)/N=C/c3ccc(c(c3C(=O)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 8gm/kg (8000mg/kg) BEHAVIORAL: ANALGESIA Annales Pharmaceutiques Francaises. Vol. 35, Pg. 489, 1977.