Canagliflozin
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Canagliflozin
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 24812758
Canagliflozin is a C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor. It is a C-glycosyl compound, a member of thiophenes and an organofluorine compound.
2D Structure
Properties
C24H25FO5S
Molecular Formula
444.50
Molecular Weight
g/mol
444.1407
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
118
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
574
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)FIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)FSynonyms(20)
Canagliflozin842133-18-0InvokanaCanagliflozin anhydrousTA-7284JNJ-284317546S49DGR8691-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzeneCHEBI:73274DTXSID601004469CanagliflozinaCanagliflozine(1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol(1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol(1S)-1,5-Anhydro-1-c-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol
Data from PubChem (NCBI)
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