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WSK

Summary
Name:(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL
Synonyms:(S)-WISKOSTATIN
Formula:C17 H18 Br2 N2 O
Formal charge:0
Formula weight:426.146 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
OpenEye OEToolkits1.5.0(2S)-1-(3,6-dibromocarbazol-9-yl)-3-dimethylamino-propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C
SMILES_CANONICALCACTVS3.341CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13
SMILESCACTVS3.341CN(C)C[CH](O)Cn1c2ccc(Br)cc2c3cc(Br)ccc13
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O
SMILESOpenEye OEToolkits1.5.0CN(C)CC(Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O
InChIInChI1.03InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyInChI1.03XUBJEDZHBUPBKL-ZDUSSCGKSA-N

222415

数据于2024-07-10公开中

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