IUPAC name
2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium
SMILES
CN(C)C1=CC2=C(C=C1)[N+](C)=C(\C=C\C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C=C2
Compound class
Antinematodal Agents; Anthelmintics; Antiparasitic Products, Insecticides and Repellents;
Therapeutic area
Common name
Pyrvinium
IUPAC name
2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium
SMILES
CN(C)C1=CC2=C(C=C1)[N+](C)=C(\C=C\C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C=C2
INCHI
InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1
FORMULA
C26H28N3
Common name
Pyrvinium
IUPAC name
2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium
Molecular weight
382.521
clogP
3.631
clogS
-5.932
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
12.05
Number of Rings
4
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF03615 | 2,5-dimethyl-1-phenyl-pyrrole |
|
c1(ccccc1)n2c(ccc2C)C | 0.0003 |
| FDBF03616 | N,N,1-trimethyl-5H-quinolin-6-amine |
|
N(C)(C)C1=CC=C2N(C=CC=C2C1)C | 0.0003 |
| FDBF03617 | 1-methyl-2-vinyl-5H-quinoline |
|
C=CC1=CC=C2C(=CC=CC2)N1C | 0.0003 |
| FDBF03618 | 2,5-dimethyl-1-phenyl-3-vinyl-pyrrole |
|
C(=C)c1c(n(c(c1)C)c2ccccc2)C | 0.0003 |
| FDBF03619 | N,N,1-trimethyl-2-vinyl-5H-quinolin-6-amine |
|
C=CC1=CC=C2C(=CC=C(C2)N(C)C)N1C | 0.0003 |
| FDBF03620 | 2-[(E)-2-(2,5-dimethyl-1H-pyrrol-3-yl)vinyl]-1-methyl-5H-quinoline |
|
C(=CC1=CC=C2C(=CC=CC2)N1C)c3c([nH]c(c3)C)C | 0.0003 |
| FDBF03621 | 2,5-dimethyl-1H-pyrrole |
|
[nH]1c(ccc1C)C | 0.0003 |
| FDBF03622 | 1-methyl-5H-quinoline |
|
N1(C2=CC=CCC2=CC=C1)C | 0.0003 |
10 ,
2
