Chem
J-GLOBAL ID:200907001042125004   Nikkaji number:J2.741.592J

2-[2,7-Dichloro-3-oxo-6-hydroxy-4,5-bis[bis(carboxymethyl)aminomethyl]-3H-xanthene-9-yl]-5,6-diaminobenzoic acid

2-[2,7-ジクロロ-3-オキソ-6-ヒドロキシ-4,5-ビス[ビス(カルボキシメチル)アミノメチル]-3H-キサンテン-9-イル]-5,6-ジアミノ安息香酸
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: C30H26Cl2N4O13
Molecular formula furigana: C30-H26-CL2-N4-O13
Molecular weight: 721.450
InChI: InChI=1S/C30H26Cl2N4O13/c31-16-3-12-23(11-1-2-18(33)25(34)24(11)30(47)48)13-4-17(32)27(46)15(6-36(9-21(41)42)10-22(43)44)29(13)49-28(12)14(26(16)45)5-35(7-19(37)38)8-20(39)40/h1-4,45H,5-10,33-34H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,47,48)
InChI key: OGICYCKMIHIUQS-UHFFFAOYSA-N
SMILES: Nc1ccc(c(C(=O)O)c1N)c1c2cc(Cl)c(O)c(CN(CC(=O)O)CC(=O)O)c2oc2c(CN(CC(=O)O)CC(=O)O)c(=O)c(Cl)cc12
Systematic name  (3):
  • 2-[2,7-ジクロロ-3-オキソ-6-ヒドロキシ-4,5-ビス[ビス(カルボキシメチル)アミノメチル]-3H-キサンテン-9-イル]-5,6-ジアミノ安息香酸
  • 2,3-ジアミノ-6-(4,5-ジ{[ビス(カルボキシメチル)アミノ]メチル}-2,7-ジクロロ-6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)安息香酸
  • 2,3-diamino-6-(4,5-di{[bis(carboxymethyl)amino]methyl}-2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Other name (1):
  • 2-[2,7-Dichloro-3-oxo-6-hydroxy-4,5-bis[bis(carboxymethyl)aminomethyl]-3H-xanthene-9-yl]-5,6-diaminobenzoic acid
Thsaurus map:

Return to Previous Page