basic_info |
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| Product_Name: | 7-(3-((2-(3,5-DIHYDROXYPHENYL)-2-HYDROXYETHYL)AMINO)-2-HYDROXYPROPYL)THEOPHYLLINE |
| CAS: | 62401-99-4 |
| EnglishSynonyms: | 7-(3-((2-(3,5-DIHYDROXYPHENYL)-2-HYDROXYETHYL)AMINO)-2-HYDROXYPROPYL)THEOPHYLLINE |
| pro_mdlNumber: | MFCD01682276 |
| pro_acceptors: | 11 |
| pro_donors: | 5 |
| pro_smile: | Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CNCC(c3cc(cc(c3)O)O)O)O |
| InChi: | InChI=1S/C18H23N5O6/c1-21-16-15(17(28)22(2)18(21)29)23(9-20-16)8-13(26)6-19-7-14(27)10-3-11(24)5-12(25)4-10/h3-5,9,13-14,19,24-27H,6-8H2,1-2H3 |
| InChiKey: | InChIKey=RRGPEFBHMCQBKZ-UHFFFAOYSA-N |
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