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Substance Name: Aceperone [INN]
RN: 807-31-8
UNII: S69KXZ59AB
InChIKey: VDGZERMDPAAZEJ-UHFFFAOYSA-N

Molecular Formula

  • C24-H29-F-N2-O2

Molecular Weight

  • 396.5031
 
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Names and Synonyms

Name of Substance

  • Aceperone
  • Aceperone [INN]
  • Acetabutone

Synonyms

  • 4-(4-(Acetamidomethyl)-4-phenylpiperidino)-4'-fluorobutyrophenone
  • 5-22-09-00505 (Beilstein Handbook Reference)
  • Aceperona
  • Aceperona [INN-Spanish]
  • Aceperone
  • Aceperonum
  • Aceperonum [INN-Latin]
  • Acetabuton
  • BRN 0500391
  • N-(1-(3-(4-Fluorbenzoyl)propyl)-4-phenyl-4-piperidylmethyl)acetamid
  • N-(1-(3-(p-Fluorobenzoyl)propyl)-4-phenyl-4-piperidylmethyl)acetamide
  • NSC 170980
  • R 3248
  • UNII-S69KXZ59AB

Systematic Names

  • 4-(4-(Acetamidomethyl)-4-phenylpiperidino)-4'-fluorobutyrophenone
  • Acetamide, N-((1-(4-(4-fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)- (9CI)
  • Acetamide, N-(1-(3-(p-fluorobenzoyl)propyl)-4-phenyl-4-piperidylmethyl)-

Registry Numbers

CAS Registry Number

  • 807-31-8

FDA UNII

  • S69KXZ59AB

System Generated Number

  • 0000807318

Structure Descriptors

InChI

1S/C24H29FN2O2/c1-19(28)26-18-24(21-6-3-2-4-7-21)13-16-27(17-14-24)15-5-8-23(29)20-9-11-22(25)12-10-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,26,28)

InChIKey

VDGZERMDPAAZEJ-UHFFFAOYSA-N

Smiles

CC(=O)NCC1(CCN(CC1)CCCC(=O)c2ccc(cc2)F)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 49mg/kg (49mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11948,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 98.5 deg C   EXP
log P (octanol-water) 3.980 (none)   EST
Atmospheric OH Rate Constant 1.23E-10 cm3/molecule-sec 25 EST

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