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Barnidipine-[d4] Hydrochloride

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General Information
Catalog: BLP-003394
CAS: 117131-01-8
Molecular Formula: C27H26D4ClN3O6
Molecular Weight: 532.02

Chemical Structure

Description	Barnidipine-[d4] Hydrochloride is a labelled compound of Barnidipine HCl. Barnidipine HCl is 1,4-Dihydropyridine calcium antagonist with antihypertensive and diuretic effects. It is a potential candidate in the treatment of patients with renal parenchymal hypertension.
Synonyms	(4S)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-Pyridinedicarboxylic Acid 3-Methyl 5-[(3S)-1-(phenylmethyl)-3-(pyrrolidinyl-d4)] Ester Hydrochloride; [S-(R,R)]-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid Methyl 1-(Phenylmethyl)-3-(pyrrolidinyl-d4) Ester Monohydrochloride; YM 09730-5; (S)-3-((S)-1-benzylpyrrolidin-3-yl-2,2,5,5-d4) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name	5-O-[(3S)-1-benzyl-2,2,5,5-tetradeuteriopyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Related CAS	104757-53-1 (unlabelled)
Canonical SMILES	CC1=C(C(C(=C(N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
InChI	InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25-;/m0./s1/i13D2,16D2;
InChI Key	XEMPUKIZUCIZEY-PKGTUVDMSA-N
Purity	> 98%