Sodium [[3-[[4-(Cyclohexylamino)-9,10-Dihydro-9,10-Dioxo-1-Anthryl]Amino]-1-Oxopropyl]Amino]Benzenesulphonate
[CAS# 71889-06-0]

Identification

• Name: Sodium [[3-[[4-(Cyclohexylamino)-9,10-Dihydro-9,10-Dioxo-1-Anthryl]Amino]-1-Oxopropyl]Amino]Benzenesulphonate
• Synonyms: Sodium 2-[3-[[4-(Cyclohexylamino)-9,10-Dioxo-1-Anthryl]Amino]Propanoylamino]Benzenesulfonate; Sodium 2-[[3-[[4-(Cyclohexylamino)-9,10-Dioxo-1-Anthryl]Amino]-1-Oxopropyl]Amino]Benzenesulfonate; Sodium 2-[3-[[4-(Cyclohexylamino)-9,10-Diketo-1-Anthryl]Amino]Propanoylamino]Benzenesulfonate
• Molecular Formula: C₂₉H₂₈N₃NaO₆S
• Molecular Weight: 569.61
• CAS Registry Number: 71889-06-0
• EINECS: 276-166-5
• SMILES: C1=CC(=C3C(=C1NC2CCCCC2)C(=O)C4=C(C3=O)C=CC=C4)NCCC(=O)NC5=CC=CC=C5[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C29H29N3O6S.Na/c33-25(32-21-12-6-7-13-24(21)39(36,37)38)16-17-30-22-14-15-23(31-18-8-2-1-3-9-18)27-26(22)28(34)19-10-4-5-11-20(19)29(27)35;/h4-7,10-15,18,30-31H,1-3,8-9,16-17H2,(H,32,33)(H,36,37,38);/q;+1/p-1
• InChIKey: IGYVYYZYJUHRMM-UHFFFAOYSA-M