basic_info |
|
| Product_Name： | CALCIUM CYCLOBARBITAL |
| CAS： | 6700-48-7 |
| EnglishSynonyms： | CALCIUM CYCLOBARBITAL |
| pro_mdlNumber： | MFCD01744202 |
| pro_acceptors： | 10 |
| pro_donors： | 2 |
| pro_smile： | CCC1(C(=O)NC(=O)N(C1=O)[Ca]N2C(=O)C(C(=O)NC2=O)(CC)C3=CCCCC3)C4=CCCCC4 |
| InChi： | InChI=1S/2C12H16N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2 |
| InChiKey： | InChIKey=LQOCSNZFBLPUID-UHFFFAOYSA-L |
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