Analyte Name

Clentiazem-d6

Molecular Formula

C22 D6 H19 Cl N2 O4 S

Molecular Weight

455.0

Accurate Mass

454.16

SMILES

[2H]C([2H])([2H])N(CCN1C(=O)[C@H](OC(=O)C)[C@@H](Sc2cc(Cl)ccc12)c3ccc(OC)cc3)C([2H])([2H])[2H]

InChI

InChI=1S/C22H25ClN2O4S/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3/t20-,21+/m1/s1/i2D3,3D3

IUPAC

[(2S,3S)-5-[2-[bis(trideuteriomethyl)amino]ethyl]-8-chloro-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

Unlabelled CAS Number

96125-53-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat