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Saxagliptin Hydrochloride

CAT: 0607-C8703-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C8703-50Size:50 mg
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Description
A selective, reversible dipeptidyl peptidase?4 (DPP?4) inhibitor
CAS Number
709031-78-7
Product Name Alternative
(1S,3S,5S) -2- ((S) -2-amino-2- ((1r,3R,5R,7S) -3-hydroxyadamantan-1-yl) acetyl) -2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride
Synonyms
BMS-477118 hydrochloride
Smiles
Cl.[H][C@@]12C[C@]1 ([H]) N ([C@@H] (C2) C#N) C (=O) [C@@H] (N) C12CC3CC (CC (O) (C3) C1) C2
Molecular Formula
C18H26ClN3O2
Molecular Weight
351.88
Storage Conditions
4°C, sealed storage, away from moisture and light

Chemical Information

Saxagliptin Hydrochloride

Saxagliptin Hydrochloride is the hydrochloride salt form of saxagliptin, an orally bioavailable, potent, selective and competitive, cyanopyrrolidine-based inhibitor of dipeptidyl peptidase 4 (DPP-4), with hypoglycemic activity. Saxagliptin is metabolized into an, although less potent, active mono-hydroxy metabolite.

CAS Number709031-78-7
PubChem CID49800073
IUPAC Name(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrochloride
Molecular FormulaC18H26ClN3O2
Molecular Weight351.9
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity609
SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N.Cl
InChI
InChI=1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
Chemical Structure
2D Structure
2D structure of Saxagliptin Hydrochloride
CAS: 709031-78-7
CID: 49800073
Formula: C18H26ClN3O2
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass351.1713548
Monoisotopic Mass351.1713548
Topological Polar Surface Area90.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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