Ipragliflozin
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
Ipragliflozin
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 10453870
Ipragliflozin is a glycoside.
2D Structure
Properties
C21H21FO5S
Molecular Formula
404.50
Molecular Weight
g/mol
404.1094
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
118
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
525
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)FIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)FSynonyms(20)
Ipragliflozin761423-87-4suglatASP1941ASP-1941ipragliflozinaipragliflozine(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol3N2N8OOR7XDTXSID701032738(1S)-1,5-Anhydro-1-c-[3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl]-D-glucitol(1S)-1,5-Anhydro-1-C-(3-((1-benzothiophen-2-yl)methyl)-4-fluorophenyl)-D-glucitol(2S,3R,4R,5S,6R)-2-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-6-(hydroxymethyl)oxane-3,4,5-triol(1S)-1,5-anhydro-1-(3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl)-D-glucitolipragliflozinum
Data from PubChem (NCBI)
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