basic_info |
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| Product_Name: | 1-(THEOPHYLLINYL-7-METHYENECARBOXYLOXY)-2-(NICOTINOYL)ETHANE |
| CAS: | 61379-43-9 |
| EnglishSynonyms: | 1-(THEOPHYLLINYL-7-METHYLENECARBOXYLOXY)-2-(NICOTINOYL)ETHANE ; 1-(THEOPHYLLINYL-7-METHYENECARBOXYLOXY)-2-(NICOTINOYL)ETHANE |
| pro_mdlNumber: | MFCD01757699 |
| pro_acceptors: | 11 |
| pro_donors: | 0 |
| pro_smile: | Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)OCCOC(=O)c3cccnc3 |
| InChi: | InChI=1S/C17H17N5O6/c1-20-14-13(15(24)21(2)17(20)26)22(10-19-14)9-12(23)27-6-7-28-16(25)11-4-3-5-18-8-11/h3-5,8,10H,6-7,9H2,1-2H3 |
| InChiKey: | InChIKey=QJZVRVJFBXIHNI-UHFFFAOYSA-N |
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