Product Code

TRC-C045502

Product Format

Neat

Molecular Formula

C26H25D4FN2O2 • (HCl)

Molecular Weight

461.01

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

724694-34-2

Unlabelled CAS Number

79516-67-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(3S,4R)-Cabastine-D4 Hydrochloride

Molecular Formula

C26H25D4FN2O2 • (HCl)

Molecular Weight

461.01

Accurate Mass

460.23

SMILES

[2H]C1(C[C@@](C#N)(CC([2H])([C@@]1([H])N2CC[C@@](C(O)=O)([C@@]([H])(C2)C)C3=CC=CC=C3)[2H])C4=CC=C(C=C4)F)[2H].Cl

InChI

InChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23-,25-,26-;/m1./s1/i11D2,12D2;

IUPAC

(3S,4R)-1-((1s,4R)-4-cyano-4-(4-fluorophenyl)cyclohexyl-2,2,6,6-d4)-3-methyl-4-phenylpiperidine-4-carboxylic acid

Alternate CAS Number

724694-34-2

Unlabelled CAS Number

79516-67-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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