Chem
J-GLOBAL ID：200907069102643755   Nikkaji number：J9.546J

M-14

リホミド
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： C43H58N2O13
Molecular formula furigana： C43-H58-N2-O13
Molecular weight： 810.938
InChI： InChI=1S/C43H58N2O13/c1-12-45(13-2)31(47)20-55-30-19-28-38(51)33-32(30)34-40(26(8)37(33)50)58-43(10,41(34)52)56-18-17-29(54-11)23(5)39(57-27(9)46)25(7)36(49)24(6)35(48)21(3)15-14-16-22(4)42(53)44-28/h14-19,21,23-25,29,35-36,39,48-51H,12-13,20H2,1-11H3,(H,44,53)/b15-14-,18-17-,22-16-/t21-,23+,24+,25+,29-,35-,36+,39+,43-/m0/s1
InChI key： VFYNXKZVOUXHDX-GWHDSXBHSA-N
SMILES： CCN(CC)C(=O)COc1cc2NC(=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](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C3=O)c1c(c(O)c4C)c2O)/C
Systematic name  (3)：
  • 4-O-[2-(ジエチルアミノ)-2-オキソエチル]リファマイシン
  • (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-27-[(ジエチルカルバモイル)メトキシ]-2,15,17,29-テトラヒドロキシ-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(29),2,4,9,19,21,25,27-オクタエン-13-イル アセタート
  • (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-27-[(diethylcarbamoyl)methoxy]-2,15,17,29-tetrahydroxy-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(29),2,4,9,19,21,25,27-octaen-13-yl acetate
Other name (21)：
  • リファミド
  • リファマイシンM-14
  • Rifamide
  • Rifamycin M-14
  • N,N-ジエチルリファマイシンBアミド
Show all
CAS registry number： 2750-76-7
Regulation number (2)：
  • AB7525000
  • EINECS2203908
KEGG DRUG： D02553
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