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Substance Name: 25-Desacetylrifabutin
RN: 100324-63-8
UNII: 648I2I998A
InChIKey: SCGFWNINBXENQT-FMPFFZOVSA-N

Note

  • Metabolite of rifabutin.

Molecular Formula

  • C44-H60-N4-O10

Molecular Weight

  • 804.976
 
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Names and Synonyms

Name of Substance

  • 25-Desacetylrifabutin

Synonyms

  • 25-Desacetylrifabutin
  • 25-O-Deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxorifamycin XIV
  • LM 565
  • LM-565
  • UNII-648I2I998A

Systematic Name

  • Rifamycin XIV, 25-O-deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxo-

Registry Numbers

CAS Registry Number

  • 100324-63-8

FDA UNII

  • 648I2I998A

System Generated Number

  • 0100324638

Structure Descriptors

InChI

1S/C44H60N4O10/c1-21(2)20-48-17-15-44(16-18-48)46-32-29-30-38(52)27(8)40-31(29)41(54)43(9,58-40)57-19-14-28(56-10)24(5)36(50)26(7)37(51)25(6)35(49)22(3)12-11-13-23(4)42(55)45-34(39(30)53)33(32)47-44/h11-14,19,21-22,24-26,28,35-37,47,49-52H,15-18,20H2,1-10H3,(H,45,55)/b12-11+,19-14+,23-13-/t22-,24+,25+,26-,28-,35-,36+,37+,43-/m0/s1

InChIKey

SCGFWNINBXENQT-FMPFFZOVSA-N

Smiles

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(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)/C)C)O)C)O)C)O)C)OC)C)O