Chem
J-GLOBAL ID：200907010805157475   Nikkaji number：J18.479I

Rifapentine

リファペンチン
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： C47H64N4O12
Molecular formula furigana： C47-H64-N4-O12
Molecular weight： 877.045
InChI： InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12-,22-17-,25-14-,48-23?/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
InChI key： WDZCUPBHRAEYDL-BYEIKSMVSA-N
SMILES： CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C4CCCC4)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  (4)：
  • 3-[(4-シクロペンチルピペラジノ)イミノメチル]リファマイシン
  • 3-[[(4-シクロペンチル-1-ピペラジニル)イミノ]メチル]リファマイシン
  • (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{[(4-シクロペンチルピペラジン-1-イル)イミノ]メチル}-2,15,17,27,29-ペンタヒドロキシ-11-メトキシ-3,7,12,14,16,18,22-ヘプタメチル-6,23-ジオキソ-8,30-ジオキサ-24-アザテトラシクロ[23.3.1.14,7.05,28]トリアコンタ-1,3,5(28),9,19,21,25(29),26-オクタエン-13-イル アセタート
  • (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-{[(4-cyclopentylpiperazin-1-yl)imino]methyl}-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate
Other name (5)：
  • リファペンチン
  • DL-473
  • Rifapentine
  • 3-[[(4-Cyclopentyl-1-piperazinyl)imino]methyl]rifamycin
  • 3-[(4-Cyclopentylpiperazino)iminomethyl]rifamycin
CAS registry number： 61379-65-5
Regulation number (1)：
  • EINECS2627439
KEGG DRUG： D00879
KEGG COMPOUND： C08059
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