BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3451
NameTriprolidine
Pubchem ID5284472
KEGG IDD01782
SourceN/A
TypeUnknown
FunctionAntiallergic
Drug Like PropertiesNo
Molecular Weight332.87
Exact mass332.165541
Molecular formulaC19H25ClN2O
XlogPN/A
Topological Polar Surface Area17.1
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count4
IUPAC Name2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine hydratehydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl
Isomeric SMILECC1=CC=C(C=C1)/C(=CCN2CCCC2)/C3=CC=CC=N3.O.Cl
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