loading...| Preferred Name | rifabutin | |
| Synonyms |
1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S Mycobutin (TN) 4-N-isobutylspiropiperidylrifamycin S Rifabutin |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45367 |
|
| alternative label |
1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S Mycobutin (TN) 4-N-isobutylspiropiperidylrifamycin S Rifabutin |
|
| charge |
0 |
|
| database_cross_reference |
CAS:72559-06-9 KEGG:D00424 KEGG:C07235 KNApSAcK:C00027872 Wikipedia:Rifabutin DrugBank:DB00615 Drug_Central:2376 |
|
| formula |
C46H62N4O11 |
|
| has role | ||
| has_alternative_id |
CHEBI:45364 CHEBI:8857 |
|
| has_exact_synonym |
Rifabutin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S Mycobutin (TN) 4-N-isobutylspiropiperidylrifamycin S |
|
| has_RxCUI |
55672 |
|
| id |
CHEBI:45367 |
|
| in_subset | ||
| inchi |
InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 |
|
| inchikey |
ATEBXHFBFRCZMA-VXTBVIBXSA-N |
|
| label |
rifabutin |
|
| mass |
847.00484 |
|
| monoisotopicmass |
846.44151 |
|
| notation |
CHEBI:45367 |
|
| prefLabel |
rifabutin |
|
| 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)=C1NC5(CCN(CC5)CC(C)C)N=C1c4c3C2=O |
|
| subClassOf |