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Substance Name: 31-Hydroxyrifabutin
RN: 100324-64-9
UNII: O654NRI9T1
InChIKey: PANFHCPHSZTZMK-HWOJVXRRSA-N

Molecular Formula

  • C46-H62-N4-O12

Molecular Weight

  • 863.0118
 
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Names and Synonyms

Name of Substance

  • 31-Hydroxyrifabutin

Synonyms

  • 31-Hydroxyrifabutin
  • Rifamycin XIV, 1',4-didehydro-1-deoxy-1,4-dihydro-31-hydroxy-5'-(2-methylpropyl)-1-oxo-
  • UNII-O654NRI9T1

Registry Numbers

CAS Registry Number

  • 100324-64-9

FDA UNII

  • O654NRI9T1

System Generated Number

  • 0100324649

Structure Descriptors

InChI

1S/C46H62N4O12/c1-22(2)20-50-17-15-46(16-18-50)48-34-31-32-39(55)27(7)42-33(31)43(57)45(9,62-42)60-19-14-30(59-10)24(4)41(61-28(8)52)26(6)37(53)25(5)38(54)29(21-51)13-11-12-23(3)44(58)47-36(40(32)56)35(34)49-46/h11-14,19,22,24-26,29-30,37-38,41,49,51,53-55H,15-18,20-21H2,1-10H3,(H,47,58)/b13-11+,19-14+,23-12-/t24-,25+,26-,29-,30+,37-,38-,41-,45+/m1/s1

InChIKey

PANFHCPHSZTZMK-HWOJVXRRSA-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)CO)O)C)O)C)OC(=O)C)C)OC)C)O