Rifampicin N-oxide

CAS Registry Number®

51963-55-4
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CAS Name

Rifampicin N-oxide

Molecular Formula

C43H58N4O13

Molecular Mass

838.94

Cite this Page

Rifampicin N-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51963-55-4 (retrieved 2024-04-29) (CAS RN: 51963-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=PADXLTATLMUKBQ-JUSLIWHGSA-N

SMILES

OC1=C2C3=C4O[C@@](C)(C3=O)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C/C=C(\C)/C(=O)NC(C(O)=C2C(O)=C4C)=C1C=N(=O)N5CCN(C)CC5

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C4=C(O)C(C=N(=O)N5CCN(C)CC5)=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(O)=C4C(O)=C3C)C)C

Other Names for this Substance

  • Rifamycin, 3-[[(4-methyl-1-piperazinyl)oxidoimino]methyl]-
  • Rifamycin, 3-[[(4-methyl-1-piperazinyl)imino]methyl]-, N-oxide
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-[[(4-Methyl-1-piperazinyl)oxidoimino]methyl]rifamycin
  • N-Oxidorifampicin

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