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1564265-96-8

1564265-96-8 structural image
Product Name: 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-aMino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1R,3S,5R)-
Formula: C18H25N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Other Experimental Properties White to yellow or light brown, non-hygroscopic, crystalline powder; sparingly soluble in water at 24 °C; slightly soluble in ethyl acetate; soluble in methanol, ethanol, isopropyl alcohol; acetonitrile, acetone, and polyethylene glycol 400 /Saxagliptin monohydrate/

COMPUTED DESCRIPTORS

Molecular Weight 315.4 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 315.19467705 g/mol
Monoisotopic Mass 315.19467705 g/mol
Topological Polar Surface Area 90.4 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 609
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Saxagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor which is used in combination with diet and exercise in the therapy of type 2 diabetes, either alone or in combination with other oral hypoglycemic agents. Saxagliptin is a relatively new medication and has yet to be implicated in causing clinically apparent liver injury.