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Substance Name: Rifampicin N-oxide
RN: 51963-55-4
InChIKey: PADXLTATLMUKBQ-RIPAWWNWSA-N

Molecular Formula

  • C43-H58-N4-O13

Molecular Weight

  • 838.946
 
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Names and Synonyms

Name of Substance

  • Rifampicin N-oxide

Systematic Name

  • Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)-, N-oxide (VAN)

Registry Numbers

CAS Registry Number

  • 51963-55-4

System Generated Number

  • 0051963554

Structure Descriptors

InChI

1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)44-33-28(20-47(56)46-17-15-45(9)16-18-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,44,55)/b12-11+,19-14+,22-13-,47-20-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

InChIKey

PADXLTATLMUKBQ-RIPAWWNWSA-N

Smiles

c12c(c(O)c3c4c(c(c(O)c3c2O)C)O[C@](C)(C4=O)OC=C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C=CC=C(C)C(=O)N1)C)OC(=O)C)\C=N(\N1CCN(C)CC1)=O