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Clemizole hydrochloride

View entire compound with spectra: 2 NMR, and 1 FTIR

Clemizole hydrochloride
SpectraBase Compound ID FXPdcDQtLSG
InChI InChI=1S/C19H20ClN3.Cl/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 JBEAQOGYPLNUAY-UHFFFAOYSA-N
Mol Weight 361.3 g/mol
Molecular Formula C19H20Cl2N3
Exact Mass 360.103428 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8HEGkCmuS7G
Name Clemizole hydrochloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 342084
CAS Registry Number 1163-36-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20Cl2N3
InChI InChI=1S/C19H20ClN3.Cl/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 JBEAQOGYPLNUAY-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-(p-Chlorobenzyl)-2-(1-pyrrolidinylmethyl)benzimidazole hydrochloride, 1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole hydrochloride, 1-[(4-Chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-1H-benz imidazole hydrochloride, CID 2782 hydrochloride, NSC 46261 hydrochloride
Wiley ID SIAL_1HNMR_007013