IUPAC name
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
SMILES
CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1
Compound class
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the treatment of hypertension, and chronic stable angina (classic effort-associated angina).
Common name
Bepridil
IUPAC name
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
SMILES
CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1
INCHI
InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
FORMULA
C24H34N2O
Common name
Bepridil
IUPAC name
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
Molecular weight
366.540
clogP
4.731
clogS
-5.362
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
15.71
Number of Rings
3
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00049 | N-methylaniline |
|
CNc1ccccc1 | 0.0076 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00069 | N-methylpropan-1-amine |
|
N(CCC)C | 0.0148 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00690 | pyrrolidine |
|
N1CCCC1 | 0.0072 |
| FDBF00847 | 1-ethylpyrrolidine |
|
CCN1CCCC1 | 0.0027 |
| FDBF02829 | N-propylaniline |
|
CCCNc1ccccc1 | 0.0007 |
