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Substance Name: Timiperone [INN:JAN]
RN: 57648-21-2
UNII: 626DQ7N19L
InChIKey: YDLQKLWVKKFPII-UHFFFAOYSA-N

Molecular Formula

  • C22-H24-F-N3-O-S

Molecular Weight

  • 397.5156
 

Classification Codes

  • Antiemetics
  • Antipsychotic Agents
  • Autonomic Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Gastrointestinal Agents
  • Peripheral Nervous System Agents
  • Psychotropic Drugs
  • Reproductive Effect
  • Tranquilizing Agents
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Names and Synonyms

Name of Substance

  • Timiperone
  • Timiperone [INN:JAN]

Synonyms

  • 1-(1-(3-(p-Fluorobenzoyl)propyl)-4-piperidyl)-2-benzimidazolinethione
  • 2-Benzimidazolinethione, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-
  • 4'-Fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone
  • 4-Fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone
  • Butyrophenone, 4'-fluoro-4-(4-(2-thioxobenzimidazol-1-yl)piperidino)-
  • DD 3480
  • EINECS 260-880-9
  • Timiperona
  • Timiperona [INN-Spanish]
  • Timiperone
  • Timiperonum
  • Timiperonum [INN-Latin]
  • Tolopelon
  • UNII-626DQ7N19L

Systematic Names

  • 1-Butanone, 4-(4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl)-1-piperidinyl)-1-(4-fluorophenyl)-
  • 4-(4-(2,3-Dihydro-2-thioxo-1H-benzimidazol-1-yl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
  • 4-Fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone
  • Timiperone

Registry Numbers

CAS Registry Number

  • 57648-21-2

FDA UNII

  • 626DQ7N19L

System Generated Number

  • 0057648212

Structure Descriptors

InChI

1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)

InChIKey

YDLQKLWVKKFPII-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]c(=S)n2C3CCN(CC3)CCCC(=O)c4ccc(cc4)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 20mg/kg (20mg/kg)   Drugs in Japan Vol. -, Pg. 647, 1990.
dog LD50 oral 85mg/kg (85mg/kg)   Drugs in Japan Vol. -, Pg. 647, 1990.
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1116, 1978.
rabbit LD50 oral 237mg/kg (237mg/kg)   Drugs in Japan Vol. -, Pg. 647, 1990.
rat LD50 intravenous > 12100ug/kg (12.1mg/kg)   Drugs in Japan Vol. -, Pg. 647, 1990.
rat LD50 oral 232mg/kg (232mg/kg)   Japanese Journal of Pharmacology. Vol. 27(Suppl), Pg. 124P, 1977.
rat LD50 subcutaneous > 2600mg/kg (2600mg/kg)   Drugs in Japan Vol. -, Pg. 647, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 202 deg C   EXP
log P (octanol-water) 4.510 (none)   EST
Atmospheric OH Rate Constant 3.34E-10 cm3/molecule-sec 25 EST

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