3-Amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxorifamycin

CAS Registry Number®

62041-01-4
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CAS Name

3-Amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxorifamycin

Molecular Formula

C37H47N3O11

Molecular Mass

709.78

Cite this Page

3-Amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxorifamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=62041-01-4 (retrieved 2024-04-29) (CAS RN: 62041-01-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H47N3O11/c1-15-11-10-12-16(2)36(47)40-28-27(39)26(38)23-24(32(28)45)31(44)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)41)19(5)30(43)18(4)29(15)42/h10-15,17-19,22,29-30,33,38,42-44H,39H2,1-9H3,(H,40,47)/b11-10-,14-13+,16-12+,38-26?/t15-,17+,18+,19+,22-,29-,30+,33+,37-/m0/s1

InChIKey

InChIKey=QIHXROBNYFPZNR-MCJRCAKNSA-N

SMILES

O=C1C=2C3=C4C(=O)C(=C(N)C3=N)NC(=O)\C(\C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)\C=C\O[C@@]1(C)OC2C(C)=C4O

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C=4C(=N)C(N)=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-amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxo-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-Amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxorifamycin
  • 3-Amino-4-deoxo-4-iminorifamycin S
  • 3-Amino-4-deoxy-4-iminorifamycin S

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