Trisodium 4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydro-1-anthracenyl)amino]-6-{[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino}-1,3-benzenedisulfonate
[CAS# 72639-34-0]

Identification

• Name: Trisodium 4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydro-1-anthracenyl)amino]-6-{[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino}-1,3-benzenedisulfonate
• Synonyms: 1,3-Benzenedisulfonic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-6-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-, trisodium salt
• Molecular Formula: C₂₉H₁₄Cl₂N₅Na₃O₁₂S₃
• Molecular Weight: 860.52
• CAS Registry Number: 72639-34-0
• SMILES: c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4cc(c(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)c5ccc6c(c5)nc(c(n6)Cl)Cl.[Na+].[Na+].[Na+]
• InChI: 1S/C29H17Cl2N5O12S3.3Na/c30-27-28(31)35-15-7-11(5-6-14(15)34-27)29(39)36-17-8-16(19(49(40,41)42)10-20(17)50(43,44)45)33-18-9-21(51(46,47)48)24(32)23-22(18)25(37)12-3-1-2-4-13(12)26(23)38;;;/h1-10,33H,32H2,(H,36,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3
• InChIKey: PVUMSTBMNJIIFM-UHFFFAOYSA-K