ChemicalBook--->CAS DataBase List--->2452300-94-4

2452300-94-4

2452300-94-4 Structure

2452300-94-4 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2452300-94-4
[Synonyms]

Dapagliflozin peroxide impurities
Dapagliflozin Hydroperoxide Impurity
[Molecular Formula]

C21H25ClO8
[MOL File]

2452300-94-4.mol
[Molecular Weight]

440.87
Chemical PropertiesBack Directory
[Boiling point ]

686.3±55.0 °C(Predicted)
[density ]

1.432±0.06 g/cm3(Predicted)
[pka]

10.09±0.10(Predicted)
[InChIKey]

LNALRIDFLCYCGX-AAQLSBDYNA-N
[SMILES]

O[C@@H]1[C@H]([C@H](O)[C@@H](CO)O[C@H]1C1C=CC(Cl)=C(C(C2C=CC(OCC)=CC=2)OO)C=1)O |&1:1,2,3,5,9,r|
Hazard InformationBack Directory
[Uses]

Dapagliflozin impurity A (Compound A) is a dapagliflozin peroxide, a genotoxic impurity, can cause damage to human genetic material at very low concentrations, leading to genetic mutations and possibly tumorigenesis[1].
[References]

[1] Cao Jing, et al. Preparation of dapagliflozin peroxide. China, CN116410163 A. 2023-07-11.
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