basic_info |
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| Product_Name: | 2H-PYRAZINO[1',2':1,5]PYRROLO[2,3-B]INDOLE-1,4(3H,5AH)-DIONE, 10B-(1,1-DIMETHYL-2-PROPEN-1-YL)-6,10B,11,11A-TETRAHYDRO-3-(1H-IMIDAZOL-5-YLMETHYLENE)-,(3E,5AS,10BR,11AS)- |
| CAS: | 58735-64-1 |
| EnglishSynonyms: | ROQUEFORTINE C ; ROQUEFORTINE ; 2H-PYRAZINO[1',2':1,5]PYRROLO[2,3-B]INDOLE-1,4(3H,5AH)-DIONE, 10B-(1,1-DIMETHYL-2-PROPEN-1-YL)-6,10B,11,11A-TETRAHYDRO-3-(1H-IMIDAZOL-5-YLMETHYLENE)-,(3E,5AS,10BR,11AS)- |
| pro_mdlNumber: | MFCD22416530 |
| pro_acceptors: | 7 |
| pro_donors: | 3 |
| pro_smile: | CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/c4c[nH]cn4)/C(=O)N3[C@@H]1Nc5c2cccc5 |
| InChi: | InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1 |
| InChiKey: | InChIKey=SPWSUFUPTSJWNG-JJUKSXGLSA-N |
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