Nor Verapamil-d6 N-beta-D-Glucuronide

Analyte Name

Nor Verapamil-d6 N-beta-D-Glucuronide

Molecular Formula

C32 D6 H38 N2 O10

Molecular Weight

622.736

Accurate Mass

622.337

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])[2H])C(CCCN(CCc1ccc(OC)c(OC)c1)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)(C#N)c3ccc(OC)c(OC)c3

InChI

InChI=1S/C32H44N2O10/c1-19(2)32(18-33,21-9-11-23(41-4)25(17-21)43-6)13-7-14-34(15-12-20-8-10-22(40-3)24(16-20)42-5)30-28(37)26(35)27(36)29(44-30)31(38)39/h8-11,16-17,19,26-30,35-37H,7,12-15H2,1-6H3,(H,38,39)/t26-,27-,28+,29-,30+,32?/m0/s1/i1D3,2D3

IUPAC

(2S,3S,4S,5R,6R)-6-[[4-cyano-6,6,6-trideuterio-4-(3,4-dimethoxyphenyl)-5-(trideuteriomethyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

126883-99-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat