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Substance Name: Homochlorcyclizine [INN:BAN]
RN: 848-53-3
UNII: N5MVC31W2N
InChIKey: WEUCDJCFJHYFRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-Cl-N2

Molecular Weight

  • 314.858
 
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Names and Synonyms

Name of Substance

  • Homochlorcyclizine [INN:BAN]
  • Homochlorocyclizine

Synonyms

  • 5-23-03-00248 (Beilstein Handbook Reference)
  • BRN 0279626
  • Cromon S (base)
  • Curosajin
  • EINECS 212-699-1
  • Homochlogyl (free base)
  • Homochlorcyclizine
  • Homochlorcyclizinum
  • Homochlorcyclizinum [INN-Latin]
  • Homoclomin (free base)
  • Homoclomine
  • Homoclorociclizina
  • Homoclorociclizina [INN-Spanish]
  • Homodamon
  • Homoginin (free base)
  • Homorestar
  • Lysilan
  • N-(p-Chlorobenzhydryl)-N'-methylhomopiperazine
  • NSC 25132
  • Omoclorciclicina
  • Omoclorciclicina [DCIT]
  • SA 97
  • Sankumin
  • UNII-N5MVC31W2N
  • Wicron

Systematic Names

  • 1-(p-Chloro-alpha-phenylbenzyl)hexahydro-4-methyl-1H-1,4-diazepine
  • 1H-1,4-Diazepine, 1-((4-chlorophenyl)phenylmethyl)hexahydro-4-methyl-
  • 1H-1,4-Diazepine, 1-(p-chloro-alpha-phenylbenzyl)hexahydro-4-methyl- (8CI)
  • 1H-1,4-Diazepine, hexahydro-1-(p-chloro-alpha-phenylbenzyl)-4-methyl-
  • Homochlorcyclizine

Registry Numbers

CAS Registry Number

  • 848-53-3

FDA UNII

  • N5MVC31W2N

Other Registry Number

  • 142860-95-5

Related Registry Number

  • 24342-55-0 (hydrochloride)

System Generated Number

  • 0000848533

Structure Descriptors

InChI

1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3

InChIKey

WEUCDJCFJHYFRL-UHFFFAOYSA-N

Smiles

c1([C@@H]([N@@]2CC[N@@](C)CCC2)c2ccccc2)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intraperitoneal 50mg/kg (50mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
dog LD50 intravenous 20mg/kg (20mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
dog LD50 oral > 200mg/kg (200mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
guinea pig LD50 intraperitoneal 76mg/kg (76mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
guinea pig LD50 intravenous 19mg/kg (19mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
guinea pig LD50 oral 370mg/kg (370mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 168, 1967.
mouse LD50 intraperitoneal 98mg/kg (98mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 1339, 1972.
mouse LD50 intravenous 47800ug/kg (47.8mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980.
mouse LD50 oral 343mg/kg (343mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980.
mouse LD50 subcutaneous 164mg/kg (164mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980.
rat LD50 intraperitoneal 81mg/kg (81mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980.
rat LD50 intravenous 36mg/kg (36mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980.
rat LD50 oral 490mg/kg (490mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 375, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.100 (none)   EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

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