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Substance Name: Rifamycin VIII, 1',4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-5'-(4-(1-methylpropyl)-1-piperazinyl)-1-oxo-, (5'(R))-
RN: 133697-12-8
InChIKey: LIERTHOGCYDXMI-XIVUZFLOSA-N

Molecular Formula

  • C51-H64-N4-O13

Molecular Weight

  • 941.0816
 
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Names and Synonyms

Synonyms

  • 3'-Hydroxy-5'(R)-(4-sec-butylpiperazinyl)benzoxazinorifamycin
  • KRM 1686
  • KRM-1686

Systematic Name

  • Rifamycin VIII, 1',4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-5'-(4-(1-methylpropyl)-1-piperazinyl)-1-oxo-, (5'(R))-

Registry Numbers

CAS Registry Number

  • 133697-12-8

System Generated Number

  • 0133697128

Structure Descriptors

InChI

1S/C51H64N4O13/c1-12-26(4)54-17-19-55(20-18-54)32-22-33(57)39-35(23-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-21-16-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)24(2)14-13-15-25(3)50(63)53-41(48)45(37)61/h13-16,21-24,26-29,34,42-43,46,57-60H,12,17-20H2,1-11H3,(H,53,63)/b14-13+,21-16+,25-15-/t24-,26+,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1

InChIKey

LIERTHOGCYDXMI-XIVUZFLOSA-N

Smiles

CC[C@@H](C)N1CCN(CC1)c2cc(c3c(c2)oc-4c5c(=O)c6c(c4n3)c7c(c(c6O)C)O[C@@](C7=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)N5)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O