basic_info |
|
Product_Name: | RIFAMAZINE |
CAS: | 37281-41-7 |
EnglishSynonyms: | RIFAMAZINE |
pro_mdlNumber: | MFCD09837923 |
pro_acceptors: | 28 |
pro_donors: | 12 |
pro_smile: | Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N=C/c5c6c(c7c(c5O)c8c(c(c7O)C)O[C@@](C8=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N6)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O |
InChi: | InChI=1S/C76H94N4O24/c1-31-21-19-23-33(3)73(95)79-55-45(63(89)49-51(65(55)91)61(87)41(11)69-53(49)71(93)75(15,103-69)99-27-25-47(97-17)35(5)67(101-43(13)81)39(9)59(85)37(7)57(31)83)29-77-78-30-46-56-66(92)52-50(64(46)90)54-70(42(12)62(52)88)104-76(16,72(54)94)100-28-26-48(98-18)36(6)68(102-44(14)82)40(10)60(86)38(8)58(84)32(2)22-20-24-34(4)74(96)80-56/h19-32,35-40,47-48,57-60,67-68,83-92H,1-18H3,(H,79,95)(H,80,96)/b21-19+,22-20+,27-25+,28-26+,33-23-,34-24-,77-29+,78-30+/t31-,32-,35+,36+,37+,38+,39+,40+,47-,48-,57-,58-,59+,60+,67+,68+,75-,76-/m0/s1 |
InChiKey: | InChIKey=OHRPJAALPNBKCL-DEHJNJMRSA-N |
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