basic_info |
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Product_Name: | TRISODIUM 5-[[4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]BENZOYL]AMINO]-4-HYDROXY-3-[(2-SULPHONATOPHENYL)AZO]NAPHTHALENE-2,7-DISULPHONATE |
CAS: | 72152-49-9 |
EnglishSynonyms: | TRISODIUM 5-[[4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]BENZOYL]AMINO]-4-HYDROXY-3-[(2-SULPHONATOPHENYL)AZO]NAPHTHALENE-2,7-DISULPHONATE |
pro_mdlNumber: | MFCD23142862 |
pro_acceptors: | 17 |
pro_donors: | 3 |
pro_smile: | c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)c4ccc(cc4)Nc5c(c(nc(n5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b36-35+;;; |
InChiKey: | InChIKey=DTJYROFTDDFIPE-ZRCOUJIOSA-K |
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