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Substance Name: Clemizole [INN:BAN]
RN: 442-52-4
UNII: T97CB3796L
InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N

Note

  • A histamine H1- blocker used to treat allergies.

Molecular Formula

  • C19-H20-Cl-N3

Molecular Weight

  • 325.841
 
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Names and Synonyms

Name of Substance

  • Clemizole
  • Clemizole [INN:BAN]

Synonyms

  • 1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole
  • AL 20 [as hydrochloride]
  • Clemizol
  • Clemizol [INN-Spanish]
  • Clemizole
  • Clemizolo
  • Clemizolo [DCIT]
  • Clemizolum
  • Clemizolum [INN-Latin]
  • EINECS 207-133-5
  • Histacur
  • Histakool
  • NSC 46261
  • UNII-T97CB3796L

Systematic Names

  • 1-p-Chlorobenzyl-2-(1-pyrrolidinylmethyl)benzimidazole
  • 1H-Benzimidazole, 1-((4-chlorophenyl)methyl)-2-(1-pyrrolidinylmethyl)-
  • Benzimidazole, 1-(p-chlorobenzyl)-2-(1-pyrrolidinylmethyl)- (8CI)
  • Clemizole

Registry Numbers

CAS Registry Number

  • 442-52-4

FDA UNII

  • T97CB3796L

System Generated Number

  • 0000442524

Structure Descriptors

InChI

1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2

InChIKey

CJXAEXPPLWQRFR-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 167 deg C   EXP
log P (octanol-water) 4.400 (none)   EST
Atmospheric OH Rate Constant 1.82E-10 cm3/molecule-sec 25 EST

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