basic_info |
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| Product_Name: | 7-(3-((2-HYDROXY-2-(4-HYDROXY-3,5-XYLYL)ETHYL)AMINO)BUTYL)THEOPHYLLINE |
| CAS: | 62401-93-8 |
| EnglishSynonyms: | 7-(3-((2-HYDROXY-2-(4-HYDROXY-3,5-XYLYL)ETHYL)AMINO)BUTYL)THEOPHYLLINE |
| pro_mdlNumber: | MFCD01682223 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | Cc1cc(cc(c1O)C)C(CNC(C)CCn2cnc3c2c(=O)n(c(=O)n3C)C)O |
| InChi: | InChI=1S/C21H29N5O4/c1-12-8-15(9-13(2)18(12)28)16(27)10-22-14(3)6-7-26-11-23-19-17(26)20(29)25(5)21(30)24(19)4/h8-9,11,14,16,22,27-28H,6-7,10H2,1-5H3 |
| InChiKey: | InChIKey=OTNZSMZWKRIOER-UHFFFAOYSA-N |
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