Raloxifene N-Oxide
HIT212686731
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HIT ID: HIT212686731
Cas No: 195454-31-0
分子式: C28H27NO5S
分子量: 489.59
常用名: Raloxifene N-Oxide
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.932389
IUPAC: 1-(2-{4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy}ethyl)piperidin-1-ium-1-olate
IUPAC: 1-(2-{4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy}ethyl)piperidin-1-ium-1-olate
SMILES: Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCC[N+]2([O-])CCCCC2)cc1
SMILES: Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCC[N+]2([O-])CCCCC2)cc1
InChI key: KNADIZJVEMEXLS-UHFFFAOYSA-N
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