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rel-Benidipine-[d5]

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rel-Benidipine-[d5]

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General Information
Catalog: BLP-004114
CAS: 1329746-53-3
Molecular Formula: C28H26D5N3O6
Molecular Weight: 510.59

Chemical Structure

Description	A labelled form of Benidipine. Benidipine is a dihydropyridine calcium channel blocker treating high blood pressure (hypertension).
Synonyms	rac Benidipine-d5; (4R)-rel-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl 5-[-1-[(Phenyl-d5)methyl]-3-piperidinyl] Ester (+/-)-Benidipine-d5; Coniel-d5; KW 3049-d5
IUPAC Name	3-O-methyl 5-O-[(3R)-1-[(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CAS	1329633-88-6 (HCl salt)
Canonical SMILES	CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI	InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1/i4D,5D,6D,9D,10D
InChI Key	QZVNQOLPLYWLHQ-SJDQCAEISA-N
Purity	>98%