IUPAC name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
SMILES
COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
Compound class
Phosphodiesterase Inhibitors; Vasodilator Agents; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Drugs Used in Erectile Dysfunction; Drugs for Functional Gastrointestinal Disorders; Papaverine and Derivatives; Urological Agents;
Therapeutic area
For the treatment of impotence and vasospasms.
Common name
Papaverine
IUPAC name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
SMILES
COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
INCHI
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
FORMULA
C20H21NO4
Common name
Papaverine
IUPAC name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Molecular weight
339.385
clogP
4.512
clogS
-6.041
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
49.81
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00960 | 1,2-dimethoxy-4-methyl-benzene |
|
Cc1ccc(c(c1)OC)OC | 0.0031 |
| FDBF02519 | 6-methoxyisoquinoline |
|
n1cc2c(cc(cc2)OC)cc1 | 0.0003 |
| FDBF02520 | 1-methylisoquinoline |
|
n1c(c2c(cccc2)cc1)C | 0.0003 |
| FDBF02521 | 6,7-dimethoxyisoquinoline |
|
n1cc2c(cc(c(c2)OC)OC)cc1 | 0.0003 |
| FDBF02522 | 7-methoxy-1-methyl-isoquinoline |
|
n1c(c2c(ccc(c2)OC)cc1)C | 0.0003 |
| FDBF02524 | 6,7-dimethoxy-1-methyl-isoquinoline |
|
n1c(c2c(cc(c(c2)OC)OC)cc1)C | 0.0003 |
| FDBF02525 | isoquinoline |
|
n1cc2c(cccc2)cc1 | 0.0003 |
15 ,
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