basic_info |
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| Product_Name： | 2,1-苯并异噻唑,7-乙基-3-甲基-(9CI) |
| CAS： | 108670-13-9 |
| 中文同义词： | 2,1-苯并异噻唑,7-乙基-3-甲基-(9CI) |
| EnglishSynonyms： | 1-PROPANONE, 1-(10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZIN-2-YL)-, DIMALEATE |
| pro_mdlNumber： | MFCD01696462 |
| pro_acceptors： | 4 |
| pro_donors： | 0 |
| pro_smile： | CCC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChi： | InChI=1S/C23H29N3OS.2C4H4O4/c1-3-21(27)18-9-10-23-20(17-18)26(19-7-4-5-8-22(19)28-23)12-6-11-25-15-13-24(2)14-16-25;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
| InChiKey： | InChIKey=ZESZXZILVOWSIY-SPIKMXEPSA-N |
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