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Substance Name: 1-Piperazinecarboxylic acid, 4-(2-hydroxypropyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester
RN: 70485-39-1
InChIKey: QFOHHPUMHKENLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N4-O4

Molecular Weight

  • 478.5896
 
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Names and Synonyms

Synonyms

  • Urethane d'enol de la phenylbutazone et de la N-(2-hydroxy-n-propyl)piperazine
  • Urethane d'enol de la phenylbutazone et de la N-(2-hydroxy-n-propyl)piperazine [French]

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(2-hydroxypropyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester

Registry Numbers

CAS Registry Number

  • 70485-39-1

System Generated Number

  • 0070485391

Structure Descriptors

InChI

1S/C27H34N4O4/c1-3-4-15-24-25(33)30(22-11-7-5-8-12-22)31(23-13-9-6-10-14-23)26(24)35-27(34)29-18-16-28(17-19-29)20-21(2)32/h5-14,21,32H,3-4,15-20H2,1-2H3

InChIKey

QFOHHPUMHKENLP-UHFFFAOYSA-N

Smiles

CCCCc1c(=O)n(n(c1OC(=O)N2CCN(CC2)CC(C)O)c3ccccc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   French Demande Patent Document. Vol. #2376140,