3-[(1-Piperazinylimino)methyl]rifamycin

CAS Registry Number®

13292-45-0
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CAS Name

3-[(1-Piperazinylimino)methyl]rifamycin

Molecular Formula

C42H56N4O12

Molecular Mass

808.91

Cite this Page

3-[(1-Piperazinylimino)methyl]rifamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13292-45-0 (retrieved 2024-05-03) (CAS RN: 13292-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H56N4O12/c1-20-11-10-12-21(2)41(54)45-32-27(19-44-46-16-14-43-15-17-46)36(51)29-30(37(32)52)35(50)25(6)39-31(29)40(53)42(8,58-39)56-18-13-28(55-9)22(3)38(57-26(7)47)24(5)34(49)23(4)33(20)48/h10-13,18-20,22-24,28,33-34,38,43,48-52H,14-17H2,1-9H3,(H,45,54)/b11-10-,18-13-,21-12+,44-19?/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1

InChIKey

InChIKey=FKKVFHDDYXJFFL-IFDCNIKQSA-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=NN5CCNCC5

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C4=C(O)C(C=NN5CCNCC5)=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-[(1-piperazinylimino)methyl]-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(N-1-piperazinylformimidoyl)-, 21-acetate
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-[(1-Piperazinylimino)methyl]rifamycin
  • N-Demethylrifampin

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