loading...| Preferred Name |
rifaximin |
|
| Synonyms |
(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate rifaximin Rifamycin L 105 Rifamycin L 105SV rifaximine Xifaxsan rifaximinun rifaximina Rifaxidin |
|
| Definitions |
A semisynthetic member of the class of rifamycins and non-systemic gastrointestinal site-specific broad spectrum antibiotic. Used in the treatment of traveller's diarrhoea, hepatic encephalopathy and irritable bowel syndrome. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_75246 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB01220 PMID:23389621 HMDB:HMDB0015351 PMID:23314671 Drug_Central:2379 PMID:23340064 PMID:26028929 PMID:25586470 Wikipedia:Rifaximin CAS:80621-81-4 PMID:25867912 PMID:23183443 PMID:23445237 PMID:23273888 PMID:25339518 PMID:23798671 PMID:23216382 Reaxys:7790802 PMID:25932262 PMID:23877348 PMID:23095030 PMID:23274384 PMID:23092785 PMID:23653636 PMID:23526308 PMID:23843564 PMID:25565769 PMID:23275147 PMID:23922656 PMID:25835116 PMID:25214516 KEGG:D02554 PMID:23640348 PMID:26043290 PMID:23556126 PMID:25641072 PMID:23565181 PMID:23303506 PMID:23740443 PMID:23589147 |
|
| definition |
A semisynthetic member of the class of rifamycins and non-systemic gastrointestinal site-specific broad spectrum antibiotic. Used in the treatment of traveller's diarrhoea, hepatic encephalopathy and irritable bowel syndrome. |
|
| formula |
C43H51N3O11 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_55324 |
|
| has_exact_synonym |
(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
rifaximin Rifamycin L 105 Rifamycin L 105SV rifaximine Xifaxsan rifaximinun rifaximina Rifaxidin |
|
| id |
CHEBI:75246 |
|
| in_subset | ||
| 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 |
NZCRJKRKKOLAOJ-XRCRFVBUSA-N |
|
| label |
rifaximin |
|
| mass |
785.87850 |
|
| monoisotopicmass |
785.35236 |
|
| notation |
CHEBI:75246 |
|
| prefLabel |
rifaximin |
|
| smiles |
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)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)c1c(nc5cc(C)ccn15)c4c3C2=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_26580 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_24995 http://purl.obolibrary.org/obo/CHEBI_59779 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_26580 http://purl.obolibrary.org/obo/CHEBI_72588 http://purl.obolibrary.org/obo/CHEBI_24995 http://purl.obolibrary.org/obo/CHEBI_59779 |