Chem
J-GLOBAL ID：200907011301025469   Nikkaji number：J342.306I

Rifabutin

リファブチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H62N4O11
Molecular formula furigana： C46-H62-N4-O11
Molecular weight： 847.019
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
InChI key： ATEBXHFBFRCZMA-DVAZEERGSA-N
SMILES： CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C4=NC5(CCN(CC(C)C)CC5)NC4=C(NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)C(=O)c2c(O)c3C
Systematic name  (3)：
  • 1′,4-ジデヒドロ-1-デオキシ-1,4-ジヒドロ-5′-(2-メチルプロピル)-1-オキソリファマイシンXIV
  • (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-トリヒドロキシ-11-メトキシ-3,7,12,14,16,18,22-ヘプタメチル-1'-(2-メチルプロピル)-6,23,32-トリオキソ-8,33-ジオキサ-24,27,29-トリアザスピロ[ペンタシクロ[23.6.1.14,7.05,31.026,30]トリトリアコンタン-28,4'-ピペリジン]-1(31),2,4,9,19,21,25,29-オクタエン-13-イル アセタート
  • (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-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[23.6.1.14,7.05,31.026,30]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-13-yl acetate
Other name (11)：
  • Antibiotic LM-427
  • 抗生物質LM-427
  • Rifabutine
  • LM-427
  • リファブチン
Show all
CAS registry number： 72559-06-9
KEGG DRUG： D00424
KEGG COMPOUND： C07235
Application (3)：
macrolide antibiotics ,  antituberculosis drug ,  antibacterial drug
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