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Tofogliflozin (hydrate)
CSG452, Tofogliflozin hydrate (JAN), (1S,3'R,4'S,5'S,6'R)-6-((4-Ethylphenyl)methyl)-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-spiro(isobenzofuran-1(3H),2'-(2H)pyran)-3',4',5'-triol monohydrate, (1S,3'R,4'S,5'S,6'R)-6-((4-Ethylphenyl)methyl)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro(2-benzofuran-1,2'-pyran)-3',4',5'-triol monohydrate, Tofogliflozin (USAN), Tofogliflozin [USAN:INN], UNII-P8DD8KX4O4, Tofogliflozin (hydrate)
CAS号: 1201913-82-7
IUPAC名称: (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;hydrate
分子式: C22H28O7
分子量: 404.45400
InChI: InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/m1./s1
InChIKey: ZXOCGDDVNPDRIW-NHFZGCSJSA-N
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=C2.O
EINECS: -
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