Laudexium metilsulfate

Base Information

• Chemical Name: Laudexium metilsulfate
• CAS No.: 3253-60-9
• Molecular Formula: C54H80N2O16S2
• Molecular Weight: 0
• UNII: D067KDG4NU
• DSSTox Substance ID: DTXSID301029355
• Wikipedia: Laudexium_metilsulfate
• Wikidata: Q15051950
• NCI Thesaurus Code: C174663
• ChEMBL ID: CHEMBL2106395
• Mol file: 3253-60-9.mol

Synonyms:Laudexium methylsulfate;Laudexium metilsulfate;Laudexium methyl sulfate;Laudolissin;3253-60-9;Laudexium methylsulphate;Laudexenium methyl sulfate;Laudolissin methosulphate;Laudexii metilsulfas;Laudexii metilsulfas [INN-Latin];Metilsulfato de laudexio;Laudexium methyl sulphate;Metilsulfate de laudexium;Laudexium (methylsulfate);UNII-D067KDG4NU;Metilsulfate de laudexium [INN-French];Metilsulfato de laudexio [INN-Spanish];D067KDG4NU;Laudexium metilsulfate [INN];2,2'-Decamethylenebis(1,2,3,4-tetrahydro)-6,7-dimethoxy-2-methyl-1-veratrylisoquinolium methylsulfate;2,2'-(decane-1,10-diyl)bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) methyl sulfate;Isoquinolinium, 2,2'-decamethylenebis(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratryl-, bis(methyl sulfate);Isoquinolinium, 2,2'-decamethylenebis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratryl-, bis(methyl sulfate);SCHEMBL1170701;CHEMBL2106395;DTXSID301029355;C52H74N2O8.2CH3O4S;C30H46NO4.C23H32NO4;LAUDEXIUM METHYL SULFATE [MI];LS-86056;C52-H74-N2-O8.2C-H3-O4-S;Q15051950;1-[(3,4-Dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;meth;1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;methyl sulfate;Isoquinolinium, 2,2'-(1,10-decanediyl)bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, bis(methyl sulfate);Isoquinolinium, 2,2'-decamethylenebis(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratryl-,bis(methyl sulfate)

Chemical Property of Laudexium metilsulfate

Chemical Property:

• Melting Point: 172-174° after darkening at 164-166°
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 223.46000
• Density: g/cm³
• LogP: 10.41460
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 23
• Exact Mass: 1076.49492682
• Heavy Atom Count: 74
• Complexity: 1280

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCCCCCCCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]