Dapagliflozin propanediol
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-propane-1,2-diol;hydrate
Molecular Identity
Dapagliflozin propanediol
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-propane-1,2-diol;hydrate
PubChem CID: 24906252
Dapagliflozin propanediol monohydrate is a hydrate that consists of dapagliflozin compounded with (S)-propylene glycol and hydrate in a (1:1:1) ratio. Used to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes. It has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor. It contains a (S)-propane-1,2-diol and a dapagliflozin.
2D Structure
Properties
C24H35ClO9
Molecular Formula
503.00
Molecular Weight
g/mol
502.1970
Exact Mass
Da
141
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
493
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dapagliflozin propanedioldapagliflozin propanediol monohydrateDapagliflozin S-propylene glycol monohydrateDapagliflozin propylene glycol hydrateUNII-887K2391VH887K2391VHdapagliflozin (S)-propylene glycol hydrateCHEBI:85079DAPAGLIFLOZIN COMPOUND WITH (2S)-1,2-PROPANEDIOL HYDRATEXIGDUO COMPONENT DAPAGLIFLOZIN PROPANEDIOL(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, (2S)-propane-1,2-diol (1:1) monohydrateDapagliflozin propandiol monohydrate(2S)-propane-1,2-diol--(1S)-1,5-anhydro-1-(4-chloro-3-(4-ethoxybenzyl)phenyl)-D-glucitol--water (1/1/1)(2S)-propane-1,2-diol--(1S)-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol--water (1/1/1)RefChem:5730
Data from PubChem (NCBI)
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