基本信息 |
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产品名称: | 西他利酮 |
CAS: | 108894-39-9 |
中文同义词: | 西他利酮 ; 4-(4-氨基苯基)-2-溴-苯胺 |
英文同义词: | SITALIDONE |
MDL号: | MFCD00869047 |
氢键受体数量: | 7 |
氢键供体数量: | 3 |
Smile: | CC(C)c1cc(cc(c1O)C(C)C)NS(=O)(=O)c2cc(ccc2Cl)C3(CCC(=O)N3C)O |
InChi: | InChI=1S/C23H29ClN2O5S/c1-13(2)17-11-16(12-18(14(3)4)22(17)28)25-32(30,31)20-10-15(6-7-19(20)24)23(29)9-8-21(27)26(23)5/h6-7,10-14,25,28-29H,8-9H2,1-5H3 |
InChiKey: | InChIKey=PGKMOQNZLQCYGZ-UHFFFAOYSA-N |
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