rifaximin (xifaxan) Report issue

Small molecule Orphan Drug FDA Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

785.8785

ALogP

6.16

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C5N=C6C=C(C)C=CN6C5=C(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)C(O)=C4C(O)=C3C
  • InChIKey: NZCRJKRKKOLAOJ-XRCRFVBUSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1617   ChEMBL
rifaximin

L36O5T016N   NCATS
rifaximin *

Rifaximin   Wikipedia

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