Sodium 1-Amino-4-[[3,5-Bis[(Benzoylamino)Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 67827-61-6]

Identification

• Name: Sodium 1-Amino-4-[[3,5-Bis[(Benzoylamino)Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Sodium 1-Amino-4-[[3,5-Bis[(Benzoylamino)Methyl]-2,4,6-Trimethyl-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Sodium 1-Amino-9,10-Dioxo-4-[[2,4,6-Trimethyl-3,5-Bis[[(Oxo-Phenylmethyl)Amino]Methyl]Phenyl]Amino]-2-Anthracenesulfonate; Sodium 1-Amino-4-[[3,5-Bis[(Benzoylamino)Methyl]-2,4,6-Trimethyl-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₉H₃₃N₄NaO₇S
• Molecular Weight: 724.76
• CAS Registry Number: 67827-61-6
• EINECS: 267-225-6
• SMILES: C4=C(NC1=C(C(=C(C(=C1C)CNC(=O)C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3)C)C6=C(C(=C4[S]([O-])(=O)=O)N)C(=O)C5=CC=CC=C5C6=O.[Na+]
• InChI: 1S/C39H34N4O7S.Na/c1-21-28(19-41-38(46)24-12-6-4-7-13-24)22(2)35(23(3)29(21)20-42-39(47)25-14-8-5-9-15-25)43-30-18-31(51(48,49)50)34(40)33-32(30)36(44)26-16-10-11-17-27(26)37(33)45;/h4-18,43H,19-20,40H2,1-3H3,(H,41,46)(H,42,47)(H,48,49,50);/q;+1/p-1
• InChIKey: QCTYVVWNINGBCP-UHFFFAOYSA-M