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1163-36-6

1163-36-6 structural image
Product Name: Clemizole hydrochloride
Formula: C19H21Cl2N3
Synonyms: 1-(p-Chlorobenzyl)-2-(1-pyrrolidinylmethyl)benzimidazole hydrochloride;1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole hydrochloride;1-[(4-Chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-1H-benzimidazole hydrochloride;CID 2782 hydrochloride;NSC 46261 hydrochloride
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 49.5 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 179.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 362.3 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 361.1112531 g/mol
Monoisotopic Mass 361.1112531 g/mol
Topological Polar Surface Area 21.1 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 377
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Clemizole hydrochloride is a member of benzimidazoles.