ChemicalBook--->CAS DataBase List--->1204222-85-4

1204222-85-4

1204222-85-4 Structure

1204222-85-4 Structure
IdentificationBack Directory
[Name]

BMS-639432
[CAS]

1204222-85-4
[Synonyms]

BMS-639432
Dapagliflozin-5
Dapagliflozin Impurity N
Dapagliflozin Hydroxy Imp
Dapagliflozin Hydroxy Impurity
Dapagliflozin Impurity 24 (Mixture of Diastereomers)
(1S)-1,5-anhydro-1-C-[4-Chloro-3-[(4-ethoxyphenyl)hydroxymethyl]phenyl]-D-glucitol
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)hydroxymethyl]phenyl]-, (1S)-
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((4-ethoxyphenyl)(hydroxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Dapagliflozin impurity 16/(2S,3R,4R,5S,6R)-2-(4-chloro-3-((4-ethoxyphenyl)(hydroxy) methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
[Molecular Formula]

C21H25ClO7
[MDL Number]

MFCD28387410
[MOL File]

1204222-85-4.mol
[Molecular Weight]

424.87
Chemical PropertiesBack Directory
[Melting point ]

>79°C (dec.)
[Boiling point ]

651.8±55.0 °C(Predicted)
[density ]

1.409±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.21±0.70(Predicted)
[color ]

White to Off-White
[InChIKey]

CUYACVYWMLAWJY-BXMIZVOKNA-N
[SMILES]

O1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1C1=CC=C(Cl)C(C(C2=CC=C(OCC)C=C2)O)=C1 |&1:1,4,6,8,10,r|
Hazard InformationBack Directory
[Uses]

(1S)-1,5-anhydro-1-C-[4-Chloro-3-[(4-ethoxyphenyl)hydroxymethyl]phenyl]-D-glucitol is an impurity of the drug Dapagliflozin (D185370), a sodium-glucose transporter 2 inhibitor.
Spectrum DetailBack Directory
[Spectrum Detail]

BMS-639432(1204222-85-4)1HNMR
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