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Substance Name: Clobutinol [INN]
RN: 14860-49-2
UNII: 1NY2IX043A
InChIKey: KVHHQGIIZCJATJ-UHFFFAOYSA-N

Classification Codes

  • Antitussive Agents
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Respiratory System Agents

Molecular Formula

  • C14-H22-Cl-N-O

Molecular Weight

  • 255.787
 
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Names and Synonyms

Name of Substance

  • Clobutinol
  • Clobutinol [INN]

Synonyms

  • 1-(4-Chlorophenyl)-2,3-dimethyl-4-dimethylamino-2-butanol
  • Benzeneethanol, 4-chloro-alpha-(2-(dimethylamino)-1-methyl)-alpha-methyl-
  • BRN 2843490
  • Clobutinol
  • Clobutinolum
  • Clobutinolum [INN-Latin]
  • EINECS 238-926-4
  • KAT 256 [as hydrochloride]
  • p-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl-phenethyl alcohol
  • p-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methylphenethyl alcohol
  • p-Cloro-alpha-(2-(dimetilamino)-1-metiletil)-alpha-metil fenetil alcool
  • p-Cloro-alpha-(2-(dimetilamino)-1-metiletil)-alpha-metil fenetil alcool [Italian]
  • UNII-1NY2IX043A

Systematic Names

  • 4-Chloro-alpha(2-(dimethylamino)-1-methylethyl)alpha-methylbenzeneethanol
  • Benzeneethanol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl- (9CI)
  • Clobutinol
  • p-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methylphenethyl alcohol
  • Phenethyl alcohol, p-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 14860-49-2

FDA UNII

  • 1NY2IX043A

System Generated Number

  • 0014860492

Structure Descriptors

InChI

1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3

InChIKey

KVHHQGIIZCJATJ-UHFFFAOYSA-N

Smiles

c1(C[C@@]([C@@H](CN(C)C)C)(C)O)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 45300ug/kg (45.3mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 1067, 1974.
mouse LD50 intraperitoneal 128mg/kg (128mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.
mouse LD50 intravenous 53mg/kg (53mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.
mouse LD50 oral 334mg/kg (334mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.
mouse LD50 subcutaneous 262mg/kg (262mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 1067, 1974.
rat LD50 intraperitoneal 165mg/kg (165mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.
rat LD50 intravenous 63mg/kg (63mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.
rat LD50 oral 802mg/kg (802mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.
rat LD50 subcutaneous 775mg/kg (775mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 6, Pg. 119, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.200 (none)   EST
Atmospheric OH Rate Constant 9.43E-11 cm3/molecule-sec 25 EST

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