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Product Overview

Product Code

TRC-S491050

CAS Number

862156-92-1

Product Format

Neat

Molecular Formula

C16H15F6N5O . HCl . H2O

Molecular Weight

461.79

API Family

Sitagliptin

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

486460-32-6

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Sitagliptin Monohydrochloride Monohydrate

CAS Number

862156-92-1

Molecular Formula

C16H15F6N5O . HCl . H2O

Molecular Weight

461.79

Accurate Mass

461.1053

SMILES

O.Cl.N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F

InChI

InChI=1S/C16H15F6N5O.ClH.H2O/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;;/h4,6,9H,1-3,5,7,23H2;1H;1H2/t9-;;/m1../s1

IUPAC

(3R)-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;hydrate;hydrochloride

Alternate CAS Number

486460-32-6

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Sitagliptin

Purity

>95% (HPLC)

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