Tofogliflozin
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Molecular Identity
Tofogliflozin
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
PubChem CID: 46908929
Tofogliflozin is a member of 2-benzofurans.
2D Structure
Properties
C22H26O6
Molecular Formula
386.40
Molecular Weight
g/mol
386.1729
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
99.4
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
521
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2Isomeric SMILES
SMILES: CCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2Synonyms(20)
TOFOGLIFLOZIN903565-83-3CSG 452Tofogliflozin anhydrousCSG-452CSG452(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triolR-7201554245W62TDTXSID90238097TofogliflozinaTofogliflozineSpiro(isobenzofuran-1(3H),2'-(2H)pyran)-3',4',5'-triol,6-((4-ethylphenyl)methyl)-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-,(1S,3'R,4'S,5'S,6'R)-RO4998452tofogliflozinum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tofogliflozin
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