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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-4-butyl-5-((4-nitrobenzoyl)oxy)-1,2-diphenyl-
RN: 58906-06-2
InChIKey: IVIRHEQDKHFUJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H23-N3-O5

Molecular Weight

  • 457.484
 
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Names and Synonyms

Synonyms

  • 3-(p-Nitrobenzoyl)phenylbutazone
  • 3-(p.Nitrobenzoil)fenibutazone
  • 3-(p.Nitrobenzoil)fenibutazone [Italian]
  • 4-Butyl-5-((4-nitrobenzoyl)oxy)-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one
  • 5-25-01-00044 (Beilstein Handbook Reference)
  • BRN 0730639

Systematic Name

  • 3H-Pyrazol-3-one, 1,2-dihydro-4-butyl-5-((4-nitrobenzoyl)oxy)-1,2-diphenyl-

Registry Numbers

CAS Registry Number

  • 58906-06-2

System Generated Number

  • 0058906062

Structure Descriptors

InChI

1S/C26H23N3O5/c1-2-3-14-23-24(30)27(20-10-6-4-7-11-20)28(21-12-8-5-9-13-21)25(23)34-26(31)19-15-17-22(18-16-19)29(32)33/h4-13,15-18H,2-3,14H2,1H3

InChIKey

IVIRHEQDKHFUJT-UHFFFAOYSA-N

Smiles

n1(n(c(c(c1OC(c1ccc(cc1)[N+](=O)[O-])=O)CCCC)=O)c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 576mg/kg (576mg/kg)   Bollettino Chimico Farmaceutico. Vol. 117, Pg. 90, 1978.