basic_info |
|
| Product_Name： | PENICILLIN CALCIUM |
| CAS： | 1406-07-1 |
| EnglishSynonyms： | PENICILLIN CALCIUM |
| pro_mdlNumber： | MFCD01742555 |
| pro_acceptors： | 10 |
| pro_donors： | 2 |
| pro_smile： | CC1([C@@H](N2C[C@H]([C@H]2S1)NC(=O)Cc3ccccc3)C(=O)O[Ca]OC(=O)[C@H]4C(S[C@H]5N4C[C@H]5NC(=O)Cc6ccccc6)(C)C)C |
| InChi： | InChI=1S/2C16H20N2O3S.Ca/c2*1-16(2)13(15(20)21)18-9-11(14(18)22-16)17-12(19)8-10-6-4-3-5-7-10;/h2*3-7,11,13-14H,8-9H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2/t2*11-,13+,14-;/m11./s1 |
| InChiKey： | InChIKey=VFAQEDNESSVTIO-LHLNAJCASA-L |
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