Sitagliptin-d4 Phosphate

Analyte Name

Sitagliptin phosphate 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl-5,5,6,6-d4

CAS Number

1432063-88-1

Molecular Formula

C16 2H4 H11 F6 N5 O . H3 O4 P

Molecular Weight

509.33

Accurate Mass

509.1201

SMILES

[2H]C1([2H])N(Cc2nnc(n2C1([2H])[2H])C(F)(F)F)C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F.OP(=O)(O)O

InChI

InChI=1S/C16H15F6N5O.H3O4P/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4)/t9-;/m1./s1/i1D2,2D2;

IUPAC

(3R)-3-amino-1-[5,5,6,6-tetradeuterio-3-(trifluoromethyl)-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid

Unlabelled CAS Number

654671-78-0

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Sitagliptin

Purity

>95% (HPLC)