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Substance Name: Benzoic acid, 2-(acetyloxy)-, (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester
RN: 42190-60-3
InChIKey: CDBCPCPFCLQIOJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H28-N2-O6

Molecular Weight

  • 500.5482
 
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Names and Synonyms

Synonyms

  • (4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl 2-(acetyloxy)benzoate
  • BRN 0733587

Systematic Name

  • Benzoic acid, 2-(acetyloxy)-, (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester

Registry Numbers

CAS Registry Number

  • 42190-60-3

System Generated Number

  • 0042190603

Structure Descriptors

InChI

1S/C29H28N2O6/c1-3-4-19-29(20-36-26(33)24-17-11-12-18-25(24)37-21(2)32)27(34)30(22-13-7-5-8-14-22)31(28(29)35)23-15-9-6-10-16-23/h5-18H,3-4,19-20H2,1-2H3

InChIKey

CDBCPCPFCLQIOJ-UHFFFAOYSA-N

Smiles

CCCCC1(C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)COC(=O)c4ccccc4OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Cesko-Slovenska Farmacie. Vol. 22, Pg. 66, 1973.