Chemical Compound

Saxagliptin benzoate hydrate

CAS Registry Number 1073057-33-6
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Saxagliptin benzoate hydrate chemical structure
Primary Record

Saxagliptin benzoate hydrate

In stock
4,129 g
Purity
98.7 %
CAS
1073057-33-6

Compound Identifiers & Properties

CAS
1073057-33-6
PubChem CID
91617812
SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N.C1=CC=C(C=C1)C(=O)O.O
Canonical SMILES
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2.O.O=C(O)c1ccccc1

Names & Synonyms

  • Saxagliptin benzoate hydrate
  • UNII-I2W6S6X03K
  • I2W6S6X03K
  • saxagliptin benzoate monohydrate
  • 1073057-33-6
  • A904733
  • Q27280291
  • (1R,3R)-2-[(2R)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;benzoic acid;hydrate
  • 3,5,7-TRIAZA-1-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-2-AMINO-2-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-, BENZOATE, HYDRATE (1:1:1), (1S,3S,5S)-