Atigliflozin
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxyoxane-3,4,5-triol
Molecular Identity
Atigliflozin
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxyoxane-3,4,5-triol
PubChem CID: 10068465
2D Structure
Properties
C18H22O7S
Molecular Formula
382.40
Molecular Weight
g/mol
382.1086
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
8
H-Bond Acceptors
432
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC=C(C=C1)CC2=C(C=CS2)OC3C(C(C(C(O3)CO)O)O)OIsomeric SMILES
SMILES: COC1=CC=C(C=C1)CC2=C(C=CS2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OSynonyms(20)
Atigliflozin647834-15-9Y0H7UPE4WJAVE2268AVE-22682-((4-Methoxyphenyl)methyl)thiophen-3-yl-beta-d-glucopyranosideatigliflozinaatigliflozineatigliflozinumRefChem:115423Atigliflozin [INN]UNII-Y0H7UPE4WJ(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxyoxane-3,4,5-triolATIGLIFLOZIN [WHO-DD]SCHEMBL874745
Data from PubChem (NCBI)
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