Rifaximin (Xifaxan)
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate
Molecular Identity
Rifaximin (Xifaxan)
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate
PubChem CID: 72111
2D Structure
Properties
C43H51N3O11
Molecular Formula
785.90
Molecular Weight
g/mol
785.3524
Exact Mass
Da
6.9
XLogP
Above Lipinski threshold
198
TPSA
May have limited oral absorption
5
H-Bond Donors
12
H-Bond Acceptors
1590
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)CIsomeric SMILES
SMILES: C[C@H]1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=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)CSynonyms(15)
Rifaximin (Xifaxan)SMR000466324MFCD00864973MLS000759430MLS001424186MLS003882589CHEMBL1467058HMS2051D18HMS2232N07CCG-101048NC00298SY103567SBI-0206751.P001SR-01000759340SR-01000759340-4
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rifaximin (Xifaxan)
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