Chem
J-GLOBAL ID：201807010736156828   Nikkaji number：J3.695.957F

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

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
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： C30H20Cl2N2O6
Molecular formula furigana： C30-H20-CL2-N2-O6
Molecular weight： 575.400
InChI： InChI=1S/C30H20Cl2N2O6/c31-14-8-17-16(11-22(30(38)39)33-26(17)20(9-14)29(36)37)25-18-10-21(32)23(35)12-24(18)40-28-15-4-2-6-34-5-1-3-13(27(15)34)7-19(25)28/h7-12H,1-6H2,(H,36,37)(H,38,39)
InChI key： PNRPQHVWTHRXLF-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(c2c3cc(Cl)c(=O)cc3oc3c4CCCN5CCCc(cc23)c45)c2cc(Cl)cc(C(=O)O)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
  • 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-2,8-ジカルボン酸
  • 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-2,8-dicarboxylic acid
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
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