Product Code

TRC-T018307

Product Format

Neat

Molecular Formula

C22H22D8N6O2S

Molecular Weight

450.63

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

2478551-43-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Teneligliptin-d8 Sulfoxide

Molecular Formula

C22H22D8N6O2S

Molecular Weight

450.63

Accurate Mass

450.27

SMILES

O=C([C@H]1NC[C@H](C1)N(C([2H])(C([2H])(N2C3=CC(C)=NN3C4=CC=CC=C4)[2H])[2H])C([2H])(C2([2H])[2H])[2H])N(C5)CCS5=O

InChI

InChI=1S/C22H30N6O2S/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)27-11-12-31(30)16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-,31?/m0/s1/i7D2,8D2,9D2,10D2

IUPAC

((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)pyrrolidin-2-yl)(1-oxidothiazolidin-3-yl)methanone

Unlabelled CAS Number

2478551-43-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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