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Substance Name: Dehydrorifampicin
RN: 13983-13-6
InChIKey: IHHAOHNZEKYBLG-WLSIYKJHSA-N

Molecular Formula

  • C43-H56-N4-O12

Molecular Weight

  • 820.931
 
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Names and Synonyms

Name of Substance

  • Dehydrorifampicin

Synonyms

  • NSC 145633
  • Rifampicin quinone
  • Rifampin quinone

Systematic Name

  • Rifamycin, 1,4-dideoxy-1,4-dihydro-3-(((4-methyl-1-piperazinyl)imino)methyl)-1,4-dioxo- (9CI)

Registry Numbers

CAS Registry Number

  • 13983-13-6

System Generated Number

  • 0013983136

Structure Descriptors

InChI

1S/C43H56N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

InChIKey

IHHAOHNZEKYBLG-WLSIYKJHSA-N

Smiles

C1([C@@]2(Oc3c1c1C(C(\C=N\N4CCN(CC4)C)=C(C(c1c(c3C)O)=O)NC(C(=CC=C[C@H](C)[C@@H]([C@H]([C@@H](O)[C@H]([C@H](OC(C)=O)[C@@H]([C@H](C=CO2)OC)C)C)C)O)C)=O)=O)C)=O