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Rac-Benidipine-[d5] hydrochloride

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General Information
Catalog: BLP-013670
CAS: 1329633-88-6
Molecular Formula: C28H27D5ClN3O6
Molecular Weight: 547.05

Chemical Structure

Description	Rac-Benidipine-[d5] hydrochloride is the labelled analogue of Rac-Benidipine hydrochloride, which is a dihydropyridine calcium channel blocker.
Synonyms	(Rac)-Benidipine-d5 hydrochloride; (+/-)-Benidipine-d5 Hydrochloride; 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;hydrochloride
Related CAS	91599-74-5 (unlabelled) 1329746-53-3 (free base) 105979-17-7 (unlabelled free base)
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.Cl
InChI	InChI=1S/C28H31N3O6.ClH/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;1H/t23-,26-;/m1./s1/i4D,5D,6D,9D,10D;
InChI Key	KILKDKRQBYMKQX-JHOPYRTESA-N
Purity	99% by HPLC
Solubility	Soluble in DMSO (Slightly)
Appearance	Yellow Solid
Storage	Store at -20°C