basic_info |
|
| Product_Name： | BENZOYLECGONINE HYDROCHLORIDE |
| CAS： | 39426-98-7 |
| EnglishSynonyms： | BENZOYLECGONINE HYDROCHLORIDE |
| pro_mdlNumber： | MFCD01677600 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O.Cl |
| InChi： | InChI=1S/C16H19NO4.ClH/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10;/h2-6,11-14H,7-9H2,1H3,(H,18,19);1H/t11-,12+,13-,14+;/m0./s1 |
| InChiKey： | InChIKey=CMSMPZLAQCHUGM-BHARVXRSSA-N |
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