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Substance Name: Benzpiperylone [INN]
RN: 53-89-4
UNII: 7NHY63BKIV
InChIKey: KMGARVOVYXNAOF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3-O

Molecular Weight

  • 347.46
 
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Names and Synonyms

Results Name

  • Benzpiperylone [INN]

Name of Substance

  • Benzpiperylon
  • Benzpiperylone
  • Benzpiperylone [INN]

Synonyms

  • 1-(N-Metil-piperidil-4')-3-fenil-4-benzil-pirazolone-5
  • 1-(N-Metil-piperidil-4')-3-fenil-4-benzil-pirazolone-5 [Italian]
  • 4-Benzyl-1-(1-methyl-4-piperidyl)-3-phenyl-3-pyrazolin-5-one
  • 5-24-04-00398 (Beilstein Handbook Reference)
  • Benzometan
  • Benzopiperilone
  • Benzopiperilone [Italian]
  • Benzpiperilona
  • Benzpiperilona [INN-Spanish]
  • Benzpiperilone
  • Benzpiperylon
  • Benzpiperylone
  • Benzpiperylonum
  • Benzpiperylonum [INN-Latin]
  • BRN 0339239
  • EINECS 200-187-0
  • Humedil
  • KB 95
  • NSC 73254
  • PPBP
  • Reubenil
  • Reublonil
  • Telon
  • UNII-7NHY63BKIV

Systematic Names

  • 3-Pyrazolin-5-one, 4-benzyl-1-(1-methyl-4-piperidyl)-3-phenyl-
  • 3H-Pyrazol-3-one, 1,2-dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)- (9CI)
  • 4-Benzyl-1-(1-methyl-4-piperidinyl)-3-phenyl-3-pyrazolin-5-one
  • Benzpiperylone

Registry Numbers

CAS Registry Number

  • 53-89-4

FDA UNII

  • 7NHY63BKIV

System Generated Number

  • 0000053894

Structure Descriptors

InChI

1S/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,23H,12-16H2,1H3

InChIKey

KMGARVOVYXNAOF-UHFFFAOYSA-N

Smiles

c1(c(n(C2CCN(CC2)C)[nH]c1c1ccccc1)=O)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 160mg/kg (160mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.
mouse LD50 oral 1880mg/kg (1880mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.
mouse LD50 subcutaneous 615mg/kg (615mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.
rabbit LD50 intravenous 83mg/kg (83mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.
rabbit LD50 oral 1700mg/kg (1700mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.
rat LD50 intravenous 160mg/kg (160mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.
rat LD50 oral 2700mg/kg (2700mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 182 dec deg C   EXP
log P (octanol-water) 2.930 (none)   EST
Atmospheric OH Rate Constant 2.12E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.