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ChemicalBook--->CAS DataBase List--->2161394-94-9

2161394-94-9

2161394-94-9 Structure

2161394-94-9 Structure
IdentificationBack Directory
[Name]

Canagliflozin-10
[CAS]

2161394-94-9
[Synonyms]

Canagliflozin-10
canagliflozin impurities3
canagliflozin impurities613
Canagliflozin Furanose Form (Mixture of Anomers)
D-Galactitol, 1,4-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-
(2R,3R,4R,5R)-2-((R)-1,2-dihydroxyethyl)-5-(3-((5-(4- fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl) tetrahydrofuran-3,4-diol
Canagliflozin impurity 9/(2R,3R,4R,5R)-2-((R)-1,2-dihydroxyethyl)-5-(3-((5-(4- fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl) tetrahydrofuran-3,4-diol
[Molecular Formula]

C24H25FO5S
[MDL Number]

MFCD32669800
[MOL File]

2161394-94-9.mol
[Molecular Weight]

444.52
Chemical PropertiesBack Directory
[Melting point ]

>53°C (dec)
[Boiling point ]

673.5±55.0 °C(Predicted)
[density ]

1.375±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[pka]

13.56±0.70(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChIKey]

ZLPSHXQANWMHSC-HWVOYRNVNA-N
[SMILES]

O[C@@H]1[C@H]([C@]([H])([C@H](O)CO)OC1C1C=CC(C)=C(CC2=CC=C(C3C=CC(F)=CC=3)S2)C=1)O |&1:1,2,3,5,r|
Hazard InformationBack Directory
[Uses]

1-C-[3-[[5-(4-Fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucose is an intermediate used in the synthesis of Canagliflozin (C175190). Canagliflozin is a sodium/glucose cotransporter 2 (SGLT2) inhibitor; Canagliflozin is a candidate for the treatment of type 2 diabetes and obesity.
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