Dapagliflozin (2S)-1,2-Propanediol Monohydrate

CAS: 960404-48-2

Ref. 86-MM3611.00

Product Information

• Name: Dapagliflozin (2S)-1,2-Propanediol Monohydrate
• Synonyms: D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-, compd. with (2S)-1,2-propanediol (1:1), monohydrate (9CI),D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-, compd. with (2S)-1,2-propanediol, hydrate (1:1:1), (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol (S)-propane-1,2-diol (1:1) monohydrate, Dapagliflozin (S)-propylene glycol hydrate, Dapagliflozin propanediol monohydrate, Edistride, Farxiga
• Brand: Mikromol

Chemical properties

• Molecular weight: 502.98
• Formula: C₂₁H₂₅ClO₆·C₃H₈O₂·H₂O
• Color/Form: Neat
• InChI: InChI=1S/C21H25ClO6.C3H8O2.H2O/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21;1-3(5)2-4;/h3-8,10,17-21,23-26H,2,9,11H2,1H3;3-5H,2H2,1H3;1H2/t17-,18-,19+,20-,21+;3-;/m10./s1
• InChI key: InChIKey=RAUSUOPRJISZIK-UHFFFAOYSA-N
• SMILES: CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1.C[C@H](O)CO.O