basic_info |
|
| Product_Name： | 8-CHLORORUGULOVASINE A |
| CAS： | 59787-45-0 |
| EnglishSynonyms： | 8-CHLORORUGULOVASINE A |
| pro_mdlNumber： | MFCD01684089 |
| pro_acceptors： | 4 |
| pro_donors： | 2 |
| pro_smile： | CC1=C[C@@]2(c3ccc(c4c3c(c[nH]4)C[C@H]2NC)Cl)OC1=O |
| InChi： | InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m1/s1 |
| InChiKey： | InChIKey=SDYOUVJWVNBXPX-WBMJQRKESA-N |
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