basic_info |
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| Product_Name： | CELECOXIB CARBOXYLIC ACID |
| CAS： | 170571-01-4 |
| EnglishSynonyms： | CELEBREX CARBOXYLIC ACID ; CARBOXYLIC ACID CELECOXIB ; 4-[1-[4-(AMINOSULFONYL)PHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]BENZOIC ACID ; CELECOXIB CARBOXYLIC ACID |
| pro_mdlNumber： | MFCD09840210 |
| pro_acceptors： | 7 |
| pro_donors： | 2 |
| pro_smile： | c1cc(ccc1c2cn(nc2C(F)(F)F)c3ccc(cc3)S(=O)(=O)N)C(=O)O |
| InChi： | InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-14(10-1-3-11(4-2-10)16(24)25)9-23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27) |
| InChiKey： | InChIKey=FUQHYUZYGVIVLC-UHFFFAOYSA-N |
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