(1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)-1-PROPANOL METHANESULFONATE TRIHYDRATE

CAS号
189894-57-3
CCD编号
CCD07499934
分子式
C21 H27 N O5 S . 3 H2 O
分子量
459.557

基本信息

产品名称: (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)-1-PROPANOL METHANESULFONATE TRIHYDRATE
CAS: 189894-57-3
英文同义词: (1S,2S)-1-[2-HYDROXY-2-(4-HYDROXY-PHENYL)-1-METHYL-ETHYL]-4-PHENYL-PIPERIDIN-4-OL METHANESULFONATE TRIHYDRATE ; (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)-1-PROPANOL METHANESULFONATE TRIHYDRATE
MDL号: MFCD22573641
氢键受体数量: 6
氢键供体数量: 2
Smile: C[C@@H]([C@H](c1ccc(cc1)O)O)N2CCC(CC2)(c3ccccc3)OS(=O)(=O)C.O.O.O
InChi: InChI=1S/C21H27NO5S.3H2O/c1-16(20(24)17-8-10-19(23)11-9-17)22-14-12-21(13-15-22,27-28(2,25)26)18-6-4-3-5-7-18;;;/h3-11,16,20,23-24H,12-15H2,1-2H3;3*1H2/t16-,20+;;;/m0.../s1
InChiKey: InChIKey=KWQNWECPTATPQD-FCXVTQFRSA-N

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