Sodium [[9,10-Dihydro-4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Methoxytoluenesulphonate
[CAS# 70224-87-2]

Identification

• Name: Sodium [[9,10-Dihydro-4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Methoxytoluenesulphonate
• Synonyms: Sodium 3-[[4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]-2-(Methoxymethyl)Benzenesulfonate; Sodium 3-[[4-(Isopropylamino)-9,10-Diketo-1-Anthryl]Amino]-2-(Methoxymethyl)Benzenesulfonate; Benzenesulfonic Acid, ((9,10-Dihydro-4-((1-Methylethyl)Amino)-9,10-Dioxo-1-Anthracenyl)Amino)Methoxymethyl-, Monosodium Salt
• Molecular Formula: C₂₅H₂₃N₂NaO₆S
• Molecular Weight: 502.52
• CAS Registry Number: 70224-87-2
• EINECS: 274-458-7
• SMILES: C1=CC(=C3C(=C1NC2=C(C(=CC=C2)[S]([O-])(=O)=O)COC)C(=O)C4=C(C3=O)C=CC=C4)NC(C)C.[Na+]
• InChI: 1S/C25H24N2O6S.Na/c1-14(2)26-19-11-12-20(23-22(19)24(28)15-7-4-5-8-16(15)25(23)29)27-18-9-6-10-21(34(30,31)32)17(18)13-33-3;/h4-12,14,26-27H,13H2,1-3H3,(H,30,31,32);/q;+1/p-1
• InChIKey: GYUYHQJADKJDGY-UHFFFAOYSA-M