Pyrvinium
2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine
Molecular Identity
Pyrvinium
2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine
PubChem CID: 5281035
Pyrvinium is a quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents. It has a role as an anthelminthic drug and an antineoplastic agent.
2D Structure
Properties
C26H28N3+
Molecular Formula
382.50
Molecular Weight
g/mol
382.2283
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
12.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
552
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)CIsomeric SMILES
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)CSynonyms(20)
PYRVINIUM7187-62-4pyrvinium (cation)Pyrvinium ionPyrvinium cationPyrvinum (base)CHEBI:86876B9991FLU3Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methylquinoliniumQuinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl)-1-methyl-DTXSID20437952-((E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl)-N,N,1-trimethyl-quinolin-1-ium-6-amine2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amineRefChem:177975
Data from PubChem (NCBI)
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