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Sitagliptin

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Sitagliptin / CAS : 486460-32-6

Appearance White solid powder UN -
HS 29339900 DG Class -
Synonyms Januvia; Xelevia; Sitagliptin Phosphate; (R)-3-Amino-1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl)-4-(2,4,5-Trifluorophenyl)Butan-1-One; Tesavel; Sitagliptan; (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)Butan-2-Amine; (3R)-3-Amino-1-[3-(Trifluoromethyl)-5,6,7,8-Tetrahydro-1,2,4-Triazolo[4,3-A]Pyrazin-7-Yl]-4-(2,4,5-Trifluorophenyl)Butan-1-One; (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; Sitagliptin Base
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Properties

Summary

Formula
C16H15F6N5O
Molecular Mass
407.31400
Exact Mass
407.11800
PSA
77.04000
Logp
2.65470
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
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Circulatory System Drugs

Chemical and Physical Properties

Melting Point
114.1-115.7 °C
Density
1.614 g/cm3
Boiling Point
529.905 ºC
Flash Point
274.277 ºC
Appearance
White solid powder
Acidity and Basicity
alkalinity

Export information

HS Code
29339900
Export Rebate
13%

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