basic_info |
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| Product_Name： | 2(1H)-喹喔啉酮,八氢-(6CI,7CI,9CI) |
| CAS： | 70596-75-7 |
| 中文同义词： | 2(1H)-喹喔啉酮,八氢-(6CI,7CI,9CI) |
| EnglishSynonyms： | ALPHA-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-1-PIPERIDINEACETIC ACID HYDRATE (2:1) |
| pro_mdlNumber： | MFCD01748675 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | c1cc(ccc1C(=O)CC(C(=O)O)N2CCCCC2)Cl.c1cc(ccc1C(=O)CC(C(=O)O)N2CCCCC2)Cl.O |
| InChi： | InChI=1S/2C15H18ClNO3.H2O/c2*16-12-6-4-11(5-7-12)14(18)10-13(15(19)20)17-8-2-1-3-9-17;/h2*4-7,13H,1-3,8-10H2,(H,19,20);1H2 |
| InChiKey： | InChIKey=NXQGIIDDMSXREP-UHFFFAOYSA-N |
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