Product Code
EPY0002360
CAS Number
Product Format
Mixture
Molecular Formula
C18 H25 N3 O2 . H2 O
Molecular Weight
333.43
Product Categories
Alternate CAS Number
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DismissAnalyte Name
Saxagliptin Hydrate
CAS Number
945667-22-1
Molecular Formula
C18 H25 N3 O2 . H2 O
Molecular Weight
333.43
Accurate Mass
333.2052
SMILES
O.N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)C34CC5CC(CC(O)(C5)C3)C4
InChI
InChI=1S/C18H25N3O2.H2O/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;1H2/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
IUPAC
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrate
Alternate CAS Number
Free base: 361442-04-8
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Product Format
Mixture
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