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

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For Research Use Only | Not For Clinical Use
CATAPS960404482A
CAS960404-48-2
Structure
SynonymsD-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-, compd. with (2S)-1,2-propanediol (1:1), monohydrate (9CI),(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol compd. with (2S)-1,2-propanediol, hydrate (1:1:1)
IUPAC Name(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;(2S)-propane-1,2-diol;hydrate
Molecular Weight502.98
Molecular FormulaC21H25ClO6.C3H8O2.H2O
Canonical SMILESO.CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1.C[C@H](O)CO
InChIInChI=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
Accurate Mass502.197
API FamilyMatrix - API Family Dapagliflozin (2S)-1,2-Propanediol Monohydrate
FormatNeat
Product TypeAPI
ShippingRoom Temperature
Storage Conditions+5°C
SubcategoryMikromol, API standards, Additional pharmaceutical toxicology reference materials
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