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Product Overview

Product Code

TRC-S491025

CAS Number

823817-58-9

EP Description

Sitagliptin EP Impurity A

Product Format

Neat

Molecular Formula

C16 H15 F6 N5 O . H3 O4 P

Molecular Weight

505.31

API Family

Sitagliptin Phosphate

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-Sitagliptin phosphate

CAS Number

823817-58-9

Molecular Formula

C16 H15 F6 N5 O . H3 O4 P

Molecular Weight

505.31

Accurate Mass

505.095

SMILES

N[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)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-;/m0./s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Sitagliptin Phosphate

Purity

>95% (HPLC)

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