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CAS 960404-48-2

:

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol (S)-propane-1,2-diol (1:1) monohydrate

Description:
(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol (S)-propane-1,2-diol (1:1) monohydrate, with CAS number 960404-48-2, is a complex organic compound characterized by its specific stereochemistry and functional groups. This substance features a glucitol backbone, which is a sugar alcohol, indicating potential solubility in water and biological relevance. The presence of a chloro group and an ethoxyphenyl moiety suggests that it may exhibit unique electronic properties and potential interactions with biological targets. The monohydrate form indicates that it contains one molecule of water per formula unit, which can influence its stability, solubility, and crystallization behavior. Such compounds are often studied for their pharmacological properties, and their structural complexity may contribute to diverse biological activities. Overall, the characteristics of this compound make it a subject of interest in medicinal chemistry and drug development, particularly in the context of designing therapeutics with specific action mechanisms.
Formula:C21H25ClO6·C3H8O2·H2O
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=GOADIQFWSVMMRJ-UPGAGZFNSA-N
SMILES:O[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2.[C@@H](CO)(C)O.O
Synonyms:
  • (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-<span class="text-smallcaps">D</span>-glucitol (S)-propane-1,2-diol (1:1) monohydrate
  • <span class="text-smallcaps">D</span>-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-, compd. with (2S)-1,2-propanediol (1:1), monohydrate
  • <span class="text-smallcaps">D</span>-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-, compd. with (2S)-1,2-propanediol, hydrate (1:1:1)
  • Dapagliflozin (S)-propylene glycol hydrate
  • Dapagliflozin Propylene Glycolate Hydrate
  • Edistride
  • Farxiga
  • Forxiga
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-, compd. with (2S)-1,2-propanediol (1:1), monohydrate
  • 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
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