Product Code

TRC-T018302

CAS Number

1391012-95-5

Product Format

Neat

Molecular Formula

C22 D8 H22 N6 O S

Molecular Weight

434.627

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

760937-92-6

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Product Information

Chemical Data

Analyte Name

Teneligliptin-D8 (piperazinyl-D8)

CAS Number

1391012-95-5

Molecular Formula

C22 D8 H22 N6 O S

Molecular Weight

434.627

Accurate Mass

434.27

SMILES

[2H]C1([2H])N([C@@H]2CN[C@@H](C2)C(=O)N3CCSC3)C([2H])([2H])C([2H])([2H])N(c4cc(C)nn4c5ccccc5)C1([2H])[2H]

InChI

InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1/i7D2,8D2,9D2,10D2

IUPAC

[(2S,4S)-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Unlabelled CAS Number

760937-92-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Teneligliptin-d8

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