Chemical Compound

Rifaximin

CAS Registry Number 80621-81-4
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Rifaximin chemical structure
Primary Record

Rifaximin

In stock
5,109 g
Purity
99.5 %
CAS
80621-81-4

Compound Identifiers & Properties

CAS
80621-81-4
PubChem CID
72698618
SMILES
C[C@H]1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)\C
Canonical SMILES
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=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]1C

Names & Synonyms

  • Rifaximin
  • SCHEMBL25925126
  • ZINC169675595
  • CS-0862
  • HY-13234
  • R0101
  • 80621-81-4
  • (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