basic_info |
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| Product_Name: | ROSUVASTATIN ACYL-BETA-D-GLUCURONIDE |
| CAS: | 503610-44-4 |
| EnglishSynonyms: | 1-[(3R,5S,6E)-7-[4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-[METHYL(METHYLSULFONYL)AMINO]-5-PYRIMIDINYL]-3,5-DIHYDROXY-6-HEPTENOATE] BETA-D-GLUCOPYRANURONIC ACID ; ROSUVASTATIN ACYL-B-D-GLUCURONIDE ; ROSUVASTATIN ACYL-BETA-D-GLUCURONIDE |
| pro_mdlNumber: | MFCD09841256 |
| pro_acceptors: | 15 |
| pro_donors: | 6 |
| pro_smile: | CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O |
| InChi: | InChI=1S/C28H36FN3O12S/c1-13(2)20-18(21(14-5-7-15(29)8-6-14)31-28(30-20)32(3)45(4,41)42)10-9-16(33)11-17(34)12-19(35)43-27-24(38)22(36)23(37)25(44-27)26(39)40/h5-10,13,16-17,22-25,27,33-34,36-38H,11-12H2,1-4H3,(H,39,40)/b10-9+/t16-,17-,22+,23+,24-,25+,27-/m1/s1 |
| InChiKey: | InChIKey=AWGDNYJLUILGBY-ZYBQEGLCSA-N |
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