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Sitagliptin Phosphate Monohydrate

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Sitagliptin Phosphate Monohydrate / CAS : 654671-77-9

Appearance white solid UN -
HS 29339900 DG Class -
Synonyms Sitagliptin Phosphate Hydrate; 7-[(3R)-3-Amino-1-Oxo-4-(2,4,5-Trifluorophenyl)Butyl]-5,6,7,8-Tetrahydro-3-(Trifluoromethyl)-1,2,4-Triazolo[4,3-A]Pyrazinephosphatemonohydrate; 3(R)-3-Amino-1-[3-(Trifluoromethyl)-5H,6H,7H,8H [1,2,4]Triazolo[4,3-A]Pyrazin-7-Yl]-4-(2,4,5-Trifluorophenyl)Butan-1-One Phosphate Monohydrate; (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 Dihydrogenphosphate Monohydrate; Sitagliptin Phosphate (Usan); Januvia (Tn); Sitagliptin Monohydrate; Sitagliptin Phosphate.H2O; Sitagliptin Monophosphate Monohydrate; (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 Phosphate Hydrate
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Properties

Summary

Formula
C16H20F6N5O6P
Molecular Mass
523.3240802
Exact Mass
523.10600
PSA
173.84000
Logp
1.66180
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;phosphoric acid;hydrate
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Boiling Point
529.9 ºC
Flash Point
274.3 ºC
Appearance
white solid
Acidity and Basicity
acidness

Export information

HS Code
29339900
Export Rebate
13%
Risk Code
R28-38-41-48-62-63

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