basic_info |
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| Product_Name: | DICLOFENAC ACYL GLUCURONIDE |
| CAS: | 64118-81-6 |
| EnglishSynonyms: | DICLOFENAC ACYL-D-GLUCURONIDE ; DICLOFENAC ACYL-BETA-D-GLUCURONIDE ; DICLOFENAC ACYL GLUCURONIDE ; 1-O-[2-[(2',6'-DICHLOROPHENYL)AMINO)]PHENYLACETYL]-BETA-D-GLUCOPYRANURONIC ACID |
| pro_mdlNumber: | MFCD08435953 |
| pro_acceptors: | 9 |
| pro_donors: | 5 |
| pro_smile: | c1ccc(c(c1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Nc3c(cccc3Cl)Cl |
| InChi: | InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1 |
| InChiKey: | InChIKey=JXIKYYSIYCILNG-HBWRTXEVSA-N |
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