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Sitagliptin Phosphate

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Sitagliptin Phosphate / CAS : 654671-78-0

Appearance white solid UN -
HS 29339900 DG Class -
Synonyms Januvia; Sitagliptin (Phosphate); Mk-0431; Unii-494P4635I6; 494P4635I6; Mk0431; (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 Phosphate Salt; (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)-1-Butanone; Phosphoric Acid; (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; 1-Butanone, 3-Amino-1-[5,6-Dihydro-3-(Trifluoromethyl)-1,2,4-Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-4-(2,4,5-Trifluorophenyl)-, (3R)-, Phosphate (1:1); Mk 0431; Sitagliptin Phosphate (base)
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Properties

Summary

Formula
C16H18F6N5O5P
Molecular Mass
505.30900
Exact Mass
505.09500
PSA
164.61000
Logp
1.72610
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
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.OP(=O)(O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Hormones And Endocrine Drugs

Chemical and Physical Properties

Melting Point
202-204 ºC
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%

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