Laudexium

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Basic information

CAS: 47905-44-2
Standard SMILES: COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
InChIKey: LZVKNJYOWMYBAU-UHFFFAOYSA-N
Molecular formula: C52H74N2O8+2
Average molar mass: 855.2 g/mol
Monoisotopic mass: 854.54451732

Names & identifiers

Preferred name: Laudexium
IUPAC: 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

Names & synonyms

LaudexiumLaudexium ionLaudexium cation47905-44-2UNII-16GP58J3DO16GP58J3DO(Isoquinolinium, 2,2'-(1,10-decanediyl)bis(1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-RefChem:1524743253-60-91-[(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-ium47905-44-2 (free)orb1702090

Show more names

CHEMBL2110868SCHEMBL29388314AKOS0407470122,2'-(decane-1,10-diyl)bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium)T25636Q27251807

Database identifiers

CAS: 47905-44-2
PubChem CID: 18619
ChEMBL: CHEMBL2110868
UNII: 16GP58J3DO

Properties

Computed structural properties

XLogP: 10.7
Topological polar surface area: 73.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 23
Heavy atoms: 62
Formal charge: 2
Complexity: 1,190

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Compound notes

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