N-(2-Hydroxyethyl)-N-[2-[(2-Hydroxyethyl)[2-[(2-Hydroxyethyl)[2-[(1-Oxohexadecyl)Oxy]Ethyl]Amino]Ethyl]Amino]Ethyl]-2-[(2-Hydroxyethyl)(1-Oxohexadecyl)Amino]-N-Methyl-Ethanaminium Methyl Sulfate (Salt)
[CAS# 64346-65-2]

Identification

• Name: N-(2-Hydroxyethyl)-N-[2-[(2-Hydroxyethyl)[2-[(2-Hydroxyethyl)[2-[(1-Oxohexadecyl)Oxy]Ethyl]Amino]Ethyl]Amino]Ethyl]-2-[(2-Hydroxyethyl)(1-Oxohexadecyl)Amino]-N-Methyl-Ethanaminium Methyl Sulfate (Salt)
• Synonyms: Methyl Sulfate; 2-(Hexadecanoyl-(2-Hydroxyethyl)Amino)Ethyl-[2-[2-(2-Hexadecanoyloxyethyl-(2-Hydroxyethyl)Amino)Ethyl-(2-Hydroxyethyl)Amino]Ethyl]-(2-Hydroxyethyl)-Methyl-Azanium; Methyl Sulfate; 2-(Hexadecanoyl-(2-Hydroxyethyl)Amino)Ethyl-[2-[2-(2-Hexadecanoyloxyethyl-(2-Hydroxyethyl)Amino)Ethyl-(2-Hydroxyethyl)Amino]Ethyl]-(2-Hydroxyethyl)-Methyl-Ammonium; Methyl Sulfate; 2-Hydroxyethyl-[2-[2-Hydroxyethyl-[2-[2-Hydroxyethyl-[2-(1-Oxohexadecoxy)Ethyl]Amino]Ethyl]Amino]Ethyl]-[2-(2-Hydroxyethyl-(1-Oxohexadecyl)Amino)Ethyl]-Methylammonium
• Molecular Formula: C₅₀H₁₀₄N₄O₁₁S
• Molecular Weight: 969.45
• CAS Registry Number: 64346-65-2
• EINECS: 264-810-8
• SMILES: CO[S]([O-])(=O)=O.C(N(C(=O)CCCCCCCCCCCCCCC)CCO)C[N+](CCN(CCN(CCOC(=O)CCCCCCCCCCCCCCC)CCO)CCO)(CCO)C
• InChI: 1S/C49H101N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-48(58)52(38-45-56)35-41-53(3,42-46-57)40-34-50(36-43-54)32-33-51(37-44-55)39-47-60-49(59)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h54-57H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: YHHVHQUFMDUZAJ-UHFFFAOYSA-M