Chem
J-GLOBAL ID：201807018339085532   Nikkaji number：J3.695.958D

4-(11-Chloro-12-oxo-2,3,6,7-tetrahydro-1H,5H,12H-xantheno[2,3,4-ij]quinolizine-9-yl)-6-chloroquinoline-2,8-dicarboxylic acid bis(acetoxymethyl) ester

4-(11-クロロ-12-オキソ-2,3,6,7-テトラヒドロ-1H,5H,12H-キサンテノ[2,3,4-ij]キノリジン-9-イル)-6-クロロキノリン-2,8-ジカルボン酸ビス(アセトキシメチル)
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： C36H28Cl2N2O10
Molecular formula furigana： C36-H28-CL2-N2-O10
Molecular weight： 719.520
InChI： InChI=1S/C36H28Cl2N2O10/c1-17(41)46-15-48-35(44)26-11-20(37)10-23-22(13-28(39-32(23)26)36(45)49-16-47-18(2)42)31-24-12-27(38)29(43)14-30(24)50-34-21-6-4-8-40-7-3-5-19(33(21)40)9-25(31)34/h9-14H,3-8,15-16H2,1-2H3
InChI key： YTJWTNVOJWMZIM-UHFFFAOYSA-N
SMILES： CC(=O)OCOC(=O)c1cc(c2c3cc(Cl)c(=O)cc3oc3c4CCCN5CCCc(cc23)c45)c2cc(Cl)cc(C(=O)OCOC(=O)C)c2n1
Systematic name  (3)：
  • 4-(11-クロロ-12-オキソ-2,3,6,7-テトラヒドロ-1H,5H,12H-キサンテノ[2,3,4-ij]キノリジン-9-イル)-6-クロロキノリン-2,8-ジカルボン酸ビス(アセトキシメチル)
  • (8-{[(アセチルオキシ)メトキシ]カルボニル}-6-クロロ-4-{7-クロロ-6-オキソ-3-オキサ-17-アザペンタシクロ[11.7.1.02,11.04,9.017,21]ヘンイコサ-1,4,7,9,11,13(21)-ヘキサエン-10-イル}キノリン-2-カルボニルオキシ)メチル アセタート
  • (8-{[(acetyloxy)methoxy]carbonyl}-6-chloro-4-{7-chloro-6-oxo-3-oxa-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1,4,7,9,11,13(21)-hexaen-10-yl}quinoline-2-carbonyloxy)methyl acetate
Other name (1)：
  • 4-(11-Chloro-12-oxo-2,3,6,7-tetrahydro-1H,5H,12H-xantheno[2,3,4-ij]quinolizine-9-yl)-6-chloroquinoline-2,8-dicarboxylic acid bis(acetoxymethyl) ester
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