Chem
J-GLOBAL ID：200907063687551810   Nikkaji number：J406.601D

KRM-1648

KRM-1648
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C51H64N4O13
Molecular formula furigana： C51-H64-N4-O13
Molecular weight： 941.088
InChI： InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12-,20-15?,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1
InChI key： UEFHFKKWYKVLDC-KONIMJIESA-N
SMILES： CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c4nc5c(O)cc(cc5oc4c(NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)c(=O)c2c(O)c3C)N1CCN(CC(C)C)CC1
Systematic name  (2)：
  • 1′,4-ジデヒドロ-1-デオキシ-1,4-ジヒドロ-3′-ヒドロキシ-5′-[4-(2-メチルプロピル)-1-ピペラジニル]-1-オキソリファマイシンVIII
  • 1-デオキシ-1′-デヒドロ-1-オキソ-3′-ヒドロキシ-5′-[4-(2-メチルプロピル)ピペラジノ]リファマイシンVIII
Other name (5)：
  • KRM-1648
  • 1-Deoxy-1′-dehydro-1-oxo-3′-hydroxy-5′-[4-(2-methylpropyl)piperazino]rifamycin VIII
  • リファラジル
  • Rifalazil
  • 1′,4-Didehydro-1-deoxy-1,4-dihydro-3′-hydroxy-5′-[4-(2-methylpropyl)-1-piperazinyl]-1-oxorifamycin VIII
CAS registry number： 129791-92-0
KEGG DRUG： D02550
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