Chem
J-GLOBAL ID：200907070859079340   Nikkaji number：J439.402J

(7R,9R)-Idarubicin

(7R,9R)-イダルビシン
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： C26H27NO9
Molecular formula furigana： C26-H27-N-O9
Molecular weight： 497.500
InChI： InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16+,17-,21+,26+/m0/s1
InChI key： XDXDZDZNSLXDNA-LGVQOGFTSA-N
SMILES： C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@@H]1C[C@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(=O)C
Systematic name  (3)：
  • (7R,9R)-9β-アセチル-7α-[(3-アミノ-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシル)オキシ]-7,8,9,10-テトラヒドロ-6,9,11-トリヒドロキシ-5,12-ナフタセンジオン
  • (7R,9R)-9-アセチル-7-{[(2R,4S,5S,6S)-4-アミノ-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6,9,11-トリヒドロキシ-5,7,8,9,10,12-ヘキサヒドロテトラセン-5,12-ジオン
  • (7R,9R)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Other name (3)：
  • (7R,9R)-イダルビシン
  • (7R,9R)-Idarubicin
  • (7R,9R)-9β-Acetyl-7α-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione
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