Sodium [3-[[9,10-Dihydro-4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Butyl]Benzenesulphonate
[CAS# 70224-88-3]

Identification

• Name: Sodium [3-[[9,10-Dihydro-4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Butyl]Benzenesulphonate
• Synonyms: Sodium 2-[3-[[4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Butyl]Benzenesulfonate; Sodium 2-[3-[[4-(Isopropylamino)-9,10-Diketo-1-Anthryl]Amino]Butyl]Benzenesulfonate; Benzenesulfonic Acid, (3-((9,10-Dihydro-4-((1-Methylethyl)Amino)-9,10-Dioxo-1-Anthracenyl)Amino)Butyl)-, Monosodium Salt
• Molecular Formula: C₂₇H₂₇N₂NaO₅S
• Molecular Weight: 514.57
• CAS Registry Number: 70224-88-3
• EINECS: 274-459-2
• SMILES: C1=CC(=C3C(=C1NC(CCC2=CC=CC=C2[S]([O-])(=O)=O)C)C(=O)C4=C(C3=O)C=CC=C4)NC(C)C.[Na+]
• InChI: 1S/C27H28N2O5S.Na/c1-16(2)28-21-14-15-22(25-24(21)26(30)19-9-5-6-10-20(19)27(25)31)29-17(3)12-13-18-8-4-7-11-23(18)35(32,33)34;/h4-11,14-17,28-29H,12-13H2,1-3H3,(H,32,33,34);/q;+1/p-1
• InChIKey: ILPBZLYLCPDREW-UHFFFAOYSA-M