Bexagliflozin
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Bexagliflozin
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 25195624
Bexagliflozin is a C-glycosyl comprising of beta-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-({4-[2-(cyclopropyloxy)ethoxy]phenyl}methyl)phenyl group. It is a sodium-glucose co-transporter 2 (SGLT2) inhibitor indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It has a role as a hypoglycemic agent, an antihypertensive agent and a sodium-glucose transport protein subtype 2 inhibitor. It is a C-glycosyl compound, an aromatic ether, a diether, a member of cyclopropanes and a member of monochlorobenzenes.
2D Structure
Properties
C24H29ClO7
Molecular Formula
464.90
Molecular Weight
g/mol
464.1602
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
569
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bexagliflozin1118567-05-7EGT1442BRENZAVVYEGT-1442THR-1442bexagliflozinabexagliflozineEGT0001442THR1442bexagliflozinumEGT-0001442EY00JF42FV(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triolD-Glucitol, 1,5-anhydro-1-C-(4-chloro-3-((4-(2-(cyclopropyloxy)ethoxy)phenyl)methyl)phenyl)-, (1S)-
Data from PubChem (NCBI)
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