Product Code

TRC-B157502

CAS Number

1329633-88-6

Product Format

Neat

Molecular Formula

C28 D5 H26 N3 O6 . H Cl

Molecular Weight

547.054

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rac Benidipine-d5 Hydrochloride

CAS Number

1329633-88-6

Molecular Formula

C28 D5 H26 N3 O6 . H Cl

Molecular Weight

547.054

Accurate Mass

546.229

SMILES

Cl.[2H]c1c([2H])c([2H])c(CN2CCC[C@H](C2)OC(=O)C3=C(C)NC(=C([C@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)c([2H])c1[2H]

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;

IUPAC

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

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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rac Benidipine-d5 Hydrochloride

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