Rifaximin

CAS Registry Number®

80621-81-4
No image available.

CAS Name

Rifaximin

Molecular Formula

C43H51N3O11

Molecular Mass

785.88

Cite this Page

Rifaximin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80621-81-4 (retrieved 2024-04-24) (CAS RN: 80621-81-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-205 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11-,17-15-,21-13+/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1

InChIKey

InChIKey=NZCRJKRKKOLAOJ-AULZSNKWSA-N

SMILES

O=C1C=2C=3C4=C(N5C(=N4)C=C(C)C=C5)C6=C(O)C3C(O)=C(C)C2O[C@]1(C)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)N6

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C=4C=5N=C6C=C(C=CN6C5C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)=C(O)C4C(O)=C3C)C)C)C

Other Names for this Substance

  • 2,7-(Epoxypentadeca[1,11,13]trienimino)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, [2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E)]-
  • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(Acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,15(2H)-dione
  • L 105
  • Rifamycin L 105SV

View All

Deleted or Replaced CAS Registry Numbers

126334-60-9, 88747-56-2, 1229193-76-3

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser