basic_info |
|
| Product_Name: | COCAINE ALLYLBROMIDE |
| CAS: | 21416-05-7 |
| EnglishSynonyms: | COCAINE ALLYLBROMIDE |
| pro_mdlNumber: | MFCD01677552 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | C[N+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC)CC=C.[Br-] |
| InChi: | InChI=1S/C20H26NO4.BrH/c1-4-12-21(2)15-10-11-16(21)18(20(23)24-3)17(13-15)25-19(22)14-8-6-5-7-9-14;/h4-9,15-18H,1,10-13H2,2-3H3;1H/q+1;/p-1/t15-,16+,17-,18+,21?;/m0./s1 |
| InChiKey: | InChIKey=XZQZHZSXCWQKAT-HMFGLDCRSA-M |
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