114-07-8 Purity
99.86%
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Specification
The molecular formula of Clemizole hydrochloride is C19H21Cl2N3.
The molecular weight of Clemizole hydrochloride is 362.3 g/mol.
The IUPAC name of Clemizole hydrochloride is 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride.
The InChI of Clemizole hydrochloride is InChI=1S/C19H20ClN3.ClH/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;1H.
The Canonical SMILES of Clemizole hydrochloride is C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl.
The CAS number of Clemizole hydrochloride is 1163-36-6.
The UNII of Clemizole hydrochloride is 85W6I13D8M.
The ChEMBL ID of Clemizole hydrochloride is CHEMBL1256817.
The NCI Thesaurus Code of Clemizole hydrochloride is C81152.