3,3'-[(3,3'-Dimethyl[1,1'-Biphenyl]-4,4'-Diyl)Bis[Imino(1-Acetyl-2-Oxoethane-1,2-Diyl)Azo]]Bis[Bis(3-Aminopropyl)(4-Methoxybenzyl)Methylammonium] Dichloride
[CAS# 40948-42-3]

Identification

• Name: 3,3'-[(3,3'-Dimethyl[1,1'-Biphenyl]-4,4'-Diyl)Bis[Imino(1-Acetyl-2-Oxoethane-1,2-Diyl)Azo]]Bis[Bis(3-Aminopropyl)(4-Methoxybenzyl)Methylammonium] Dichloride
• Synonyms: Bis(3-Aminopropyl)-[[3-[1-[[4-[4-[[2-[5-[(Bis(3-Aminopropyl)-Methyl-Ammonio)Methyl]-2-Methoxy-Phenyl]Azo-3-Oxo-Butanoyl]Amino]-3-Methyl-Phenyl]-2-Methyl-Phenyl]Carbamoyl]-2-Oxo-Propyl]Azo-4-Methoxy-Phenyl]Methyl]-Methyl-Ammonium Dichloride; Bis(3-Aminopropyl)-[[3-[1-[[[4-[4-[[2-[5-[(Bis(3-Aminopropyl)-Methylammonio)Methyl]-2-Methoxyphenyl]Azo-1,3-Dioxobutyl]Amino]-3-Methylphenyl]-2-Methylphenyl]Amino]-Oxomethyl]-2-Oxopropyl]Azo-4-Methoxyphenyl]Methyl]-Methylammonium Dichloride; Bis(3-Aminopropyl)-[3-[1-[[4-[4-[[2-[5-[(Bis(3-Aminopropyl)-Methyl-Ammonio)Methyl]-2-Methoxy-Phenyl]Azo-3-Keto-Butanoyl]Amino]-3-Methyl-Phenyl]-2-Methyl-Phenyl]Carbamoyl]-2-Keto-Propyl]Azo-4-Methoxy-Benzyl]-Methyl-Ammonium Dichloride
• Molecular Formula: C₅₂H₇₆Cl₂N₁₂O₆
• Molecular Weight: 1036.16
• CAS Registry Number: 40948-42-3
• EINECS: 255-154-3
• SMILES: C([N+](CCCN)(C)CC1=CC=C(C(=C1)N=NC(C(NC2=C(C=C(C=C2)C4=CC(=C(NC(C(N=NC3=CC(=CC=C3OC)C[N+](CCCN)(CCCN)C)C(C)=O)=O)C=C4)C)C)=O)C(C)=O)OC)CCN.[Cl-].[Cl-]
• InChI: 1S/C52H74N12O6.2ClH/c1-35-29-41(15-17-43(35)57-51(67)49(37(3)65)61-59-45-31-39(13-19-47(45)69-7)33-63(5,25-9-21-53)26-10-22-54)42-16-18-44(36(2)30-42)58-52(68)50(38(4)66)62-60-46-32-40(14-20-48(46)70-8)34-64(6,27-11-23-55)28-12-24-56;;/h13-20,29-32,49-50H,9-12,21-28,33-34,53-56H2,1-8H3;2*1H
• InChIKey: GGXXCWAZEOQWQY-UHFFFAOYSA-N