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Amlodipine benzenesulfonate-[13C6]

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Amlodipine benzenesulfonate-[13C6]

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General Information
Catalog: BLP-003300
CAS: 1261392-82-8
Molecular Formula: C20[13C]6H31ClN2O5S
Molecular Weight: 573.01

Chemical Structure

Description	Labelled Amlodipine benzenesulfonate. Amlodipine Besylate is a long-acting calcium channel blocker, used to lower blood pressure and prevent chest pain.
Synonyms	benzenesulfonic acid 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-[2-chloro(1,2,3,4,5,6-13C6)phenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; Amlodipine-13C6 benzenesulfonate salt, racemic mixture
IUPAC Name	benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(6-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CAS	111470-99-6 (unlabelled)
Canonical SMILES	CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
InChI	InChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)/i5+1,6+1,7+1,8+1,13+1,14+1;
InChI Key	ZPBWCRDSRKPIDG-JSNYNJJQSA-N