Product Code

TRC-D185392

Product Format

Neat

Molecular Formula

C29 D5 H28 Cl O10

Molecular Weight

582.05

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

461432-25-7

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Dapagliflozin-d5 Tetraacetate

Molecular Formula

C29 D5 H28 Cl O10

Molecular Weight

582.05

Accurate Mass

581.208

SMILES

[2H]C([2H])([2H])C([2H])([2H])Oc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)C(OC(=O)C)[C@H]3OC(=O)C)cc1

InChI

InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29?/m1/s1/i1D3,6D2

IUPAC

[(2R,3R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]methyl]phenyl]oxan-2-yl]methyl acetate

Unlabelled CAS Number

461432-25-7

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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