3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin

CAS Registry Number®

51756-80-0
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CAS Name

3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin

Molecular Formula

C37H46N2O12

Molecular Mass

710.77

Cite this Page

3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51756-80-0 (retrieved 2024-04-28) (CAS RN: 51756-80-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H46N2O12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,38H2,1-9H3,(H,39,47)/b11-10-,14-13+,16-12+/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1

InChIKey

InChIKey=SMPJCQGFZSDIHE-YIHMSOGVSA-N

SMILES

O=C1C=2C3=C4C(=O)C(=C(N)C3=O)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(=O)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-1,4-dioxo-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-Amino-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin
  • 3-Aminorifamycin S

Deleted or Replaced CAS Registry Numbers

830323-38-1

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