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Chemical structure of Rifaximin

GC16970

Rifaximin

Also listed as Rifaximin (Xifaxan)

Rifaximin (Xifaxan), a gastrointestinal-selective antibiotic, binds the β-subunit of bacterial DNA-dependent RNA polymerase, resulting in inhibition of bacterial RNA synthesis

ChemicalCAS80621-81-4MW785.88FormulaC43H51N3O11
CAS number
80621-81-4
Molecular weight
785.88
Formula
C43H51N3O11
Solubility
≥ 83·3mg/mL in DMSO
InChIKey
NZCRJKRKKOLAOJ-XRCRFVBUSA-N
Catalogue number
GC16970
Brand
GLPBIO
Computed properties PubChem CID 6436173 · XLogP 6.9 · TPSA 198 Ų · H-bond donors 5
XLogP
6.9
TPSA
198 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
3
Heavy atoms
57

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

Computed descriptors from PubChem (CID 6436173), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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