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Product Overview

Product Code

TRC-D290360

CAS Number

1345822-87-8

Product Format

Neat

Molecular Formula

C16H19F5N5O5P

Molecular Weight

487.32

API Family

Sitagliptin Phosphate

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

4-Desfluoro Sitagliptin

CAS Number

1345822-87-8

Molecular Formula

C16H19F5N5O5P

Molecular Weight

487.32

Accurate Mass

487.104

SMILES

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=C(C=CC(=C3)F)F)N.OP(=O)(O)O

InChI

InChI=1S/C16H16F5N5O.H3O4P/c17-10-1-2-12(18)9(5-10)6-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21;1-5(2,3)4/h1-2,5,11H,3-4,6-8,22H2;(H3,1,2,3,4)/t11-;/m1./s1

IUPAC

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]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

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Product Overview

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4-Desfluoro Sitagliptin

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