Rifamycin S

CAS Registry Number®

13553-79-2
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CAS Name

Rifamycin S

Molecular Formula

C37H45NO12

Molecular Mass

695.75

Cite this Page

Rifamycin S.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13553-79-2 (retrieved 2024-04-26) (CAS RN: 13553-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-182 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10-,14-13+,17-12+/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

InChIKey

InChIKey=BTVYFIMKUHNOBZ-HFQXWYSFSA-N

SMILES

O=C1C=2C3=C4C(=O)C(=CC3=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=C1C=C2NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC3(OC4=C(C3=O)C1=C(C2=O)C(O)=C4C)C)C

Other Names for this Substance

  • Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
  • Rifomycin S
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 1,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycin

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Deleted or Replaced CAS Registry Numbers

27184-20-9, 959320-39-9, 1217878-21-1

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