Molecular Identity
Pinaverium
4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium
PubChem CID: 40704
Pinaverium is a monoterpenoid.
2D Structure
Properties
C26H41BrNO4+
Molecular Formula
511.50
Molecular Weight
g/mol
510.2219
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
36.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
596
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(19)
Pinaverium59995-65-2Pinaverium ionPinaverium cationU2368VVE7OMorpholinium, 4-((2-bromo-4,5-dimethoxyphenyl)methyl)-4-(2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)ethyl)-RefChem:1743044-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium4-(2-Bromo-4,5-dimethoxybenzyl)-4-(2-(2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy)ethyl)morpholin-4-iumNCGC00181763-01UNII-U2368VVE7OSCHEMBL312166CHEMBL1909324DTXSID90860655CHEBI:135811
Data from PubChem (NCBI)
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Drug Network
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