1-Amino-4-[[4-[[[(2,3-Dichloro- 6-Quinoxalinyl)Carbonyl]Methylamino]Methyl] -2-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid Sodium Salt
[CAS# 72894-31-6]

Identification

• Name: 1-Amino-4-[[4-[[[(2,3-Dichloro- 6-Quinoxalinyl)Carbonyl]Methylamino]Methyl] -2-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid Sodium Salt
• Synonyms: Disodium 1-Amino-4-[[4-[[(2,3-Dichloroquinoxaline-6-Carbonyl)-Methyl-Amino]Methyl]-2-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[4-[[[(2,3-Dichloro-6-Quinoxalinyl)-Oxomethyl]-Methylamino]Methyl]-2-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[4-[[(2,3-Dichloroquinoxaline-6-Carbonyl)-Methyl-Amino]Methyl]-2-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₁H₁₉Cl₂N₅Na₂O₉S₂
• Molecular Weight: 786.52
• CAS Registry Number: 72894-31-6 (83399-87-5)
• SMILES: C1=C([S]([O-])(=O)=O)C(=C5C(=C1NC2=CC=C(C=C2[S]([O-])(=O)=O)CN(C(=O)C4=CC3=NC(=C(Cl)N=C3C=C4)Cl)C)C(=O)C6=C(C5=O)C=CC=C6)N.[Na+].[Na+]
• InChI: 1S/C31H21Cl2N5O9S2.2Na/c1-38(31(41)15-7-9-18-20(11-15)37-30(33)29(32)36-18)13-14-6-8-19(22(10-14)48(42,43)44)35-21-12-23(49(45,46)47)26(34)25-24(21)27(39)16-4-2-3-5-17(16)28(25)40;;/h2-12,35H,13,34H2,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2
• InChIKey: KVZJATFSWGGAAD-UHFFFAOYSA-L