basic_info |
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| Product_Name: | 10-BROMO-5-(3-ALPHA-TROPANYLOXY)-5H-DIBENZO(A,D)CYCLOHEPTENE HYDROGEN FUMARATE |
| CAS: | 27719-93-3 |
| EnglishSynonyms: | 10-BROMO-5-(3-ALPHA-TROPANYLOXY)-5H-DIBENZO(A,D)CYCLOHEPTENE HYDROGEN FUMARATE |
| pro_mdlNumber: | MFCD01731106 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4C=C(c5c3cccc5)Br.C(=C/C(=O)O)\C(=O)O |
| InChi: | InChI=1S/C23H24BrNO.C4H4O4/c1-25-16-10-11-17(25)14-18(13-16)26-23-19-7-3-2-6-15(19)12-22(24)20-8-4-5-9-21(20)23;5-3(6)1-2-4(7)8/h2-9,12,16-18,23H,10-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t16-,17+,18+,23?; |
| InChiKey: | InChIKey=CBHMBGNQERNQPY-ZOMOEKLESA-N |
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