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 |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00020 | 2-methylpropan-1-ol |
|
C(O)C(C)C | 0.0031 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00642 | N,N-dimethylaniline |
|
CN(C)c1ccccc1 | 0.0045 |
| FDBF02823 | 1-isopropylpyrrolidine |
|
CC(C)N1CCCC1 | 0.0003 |
| FDBF02828 | N-ethyl-N-methyl-aniline |
|
C(C)N(c1ccccc1)C | 0.0014 |
| FDBF02830 | 1-ethoxy-2-methyl-propane |
|
C(OCC(C)C)C | 0.0003 |
| FDBF02835 | N-methyl-N-propyl-aniline |
|
CCCN(c1ccccc1)C | 0.0003 |
| FDBF02836 | 3-methoxypropan-1-amine |
|
C(OC)CCN | 0.0007 |
