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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-, ethyl ester
RN: 66913-54-0
InChIKey: RPWFWMXMXQWUMI-ZVHZXABRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N3-O5

Molecular Weight

  • 423.4665
 
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Names and Synonyms

Synonyms

  • 5-25-14-00116 (Beilstein Handbook Reference)
  • BRN 0947967

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66913-54-0

System Generated Number

  • 0066913540

Structure Descriptors

InChI

1S/C23H25N3O5/c1-6-31-23(28)19-16(12-13-18(29-4)21(19)30-5)14-24-20-15(2)25(3)26(22(20)27)17-10-8-7-9-11-17/h7-14H,6H2,1-5H3/b24-14+

InChIKey

RPWFWMXMXQWUMI-ZVHZXABRSA-N

Smiles

CCOC(=O)c1c(ccc(c1OC)OC)/C=N/c2c(n(n(c2=O)c3ccccc3)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg) BEHAVIORAL: ANALGESIA Annales Pharmaceutiques Francaises. Vol. 35, Pg. 489, 1977.