Preferred Name |
rifabutin |
|
Synonyms |
C46H62N4O11 Rifabutin 4-N-isobutylspiropiperidylrifamycin S (7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate Mycobutin (TN) 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 |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_45367 |
|
AHFScode |
08:16.04 |
|
altId |
CHEBI:8857 CHEBI:45364 |
|
ATCCode |
J04AB04 |
|
CASRN |
72559-06-9 |
|
DBBrand |
ansamycin alfacid mycobutin |
|
DBname |
rifabutin |
|
DBSynonym |
rbt ansatipin rifabutinum [latin] ansatipine rifabutina [spanish] rifabutine [french] antibiotic lm 427 |
|
Definition |
A rifamycin that has formula C46H62N4O11. |
|
has effect |
http://purl.obolibrary.org/obo/OAE_0000599 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001154 http://purl.obolibrary.org/obo/OAE_0000823 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001025 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000920 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000268 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000613 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000374 |
|
has pharmacological target |
http://purl.obolibrary.org/obo/dinto_0124 |
|
has role | ||
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 |
InChIKey=ATEBXHFBFRCZMA-VXTBVIBXSA-N |
|
induces | ||
inhibits |
http://purl.obolibrary.org/obo/dinto_0124 |
|
is metabolised by | ||
label |
rifabutin |
|
prefixIRI |
obo2:CHEBI_45367 |
|
prefLabel |
rifabutin |
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related with | ||
SMILES |
CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=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)=C1NC3(CCN(CC3)CC(C)C)N=C21 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 |
|
Synonym |
C46H62N4O11 Rifabutin 4-N-isobutylspiropiperidylrifamycin S (7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate Mycobutin (TN) 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 |
|
xref |
PubChem Compound:6323490 ChEMBL:497074 KEGG DRUG:D00424 Wikipedia:http://en.wikipedia.org/wiki/Rifabutin PharmGKB:PA451249 ChemSpider:4883445 DrugBank:DB00615 Drugs.com:http://www.drugs.com/cdi/rifabutin.html RxList:http://www.rxlist.com/cgi/generic2/rifabutin.htm ChEBI:8857 PDB:RBT Drugs Product Database (DPD):2063786 PubChem Substance:46506468 CASRN:72559-06-9 Wikipedia:Rifabutin National Drug Code Directory:0013-5301-17 KEGG COMPOUND:C07235 |
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subClassOf |