Dapagliflozin
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Dapagliflozin
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 9887712
Dapagliflozin is a C-glycosyl comprising beta-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-(4-ethoxybenzyl)phenyl group. Used (in the form of its propanediol monohydrate) 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 is a C-glycosyl compound, an aromatic ether and a member of monochlorobenzenes.
2D Structure
Properties
C21H25ClO6
Molecular Formula
408.90
Molecular Weight
g/mol
408.1340
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
99.4
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
472
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dapagliflozin461432-26-8BMS-512148ForxigaBMS 512148(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-trioldapagliflozineDapagliflozina1ULL0QJ8UCBMS512148(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triolLYN-045CHEBI:85078DTXSID20905104DAPAGLIFLOZIN COMPONENT QTERNMET
Data from PubChem (NCBI)
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