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Dapagliflozin (2S)-1,2-Propanediol Monohydrate, Mikromol™
Description
Dapagliflozin (2S)-1,2-Propanediol Monohydrate
Specifications
Specifications
| Chemical Name or Material | Dapagliflozin (2S)-1,2-Propanediol Monohydrate |
| CAS | 960404-48-2 |
| Analyte or Component Names | Dapagliflozin (2S)-1,2-Propanediol Monohydrate |
| Shipping Condition | Room Temperature |
| Molecular Formula | C21H25ClO6.C3H8O2.H2O |
| Certifications/Compliance | ISO 17034 |
| Synonym | (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), 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) |
| InChI Formula | 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 |
| SMILES | O.CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1.C[C@H](O)CO |
| 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 |
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