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 |
|---|---|---|---|---|
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00913 | phenylmethanamine |
|
NCc1ccccc1 | 0.0086 |
| FDBF01425 | N-methyl-1-phenyl-methanamine |
|
N(C)Cc1ccccc1 | 0.0045 |
| FDBF02825 | N-ethylaniline |
|
C(C)Nc1ccccc1 | 0.0021 |
| FDBF02831 | (2R)-2-pyrrolidin-1-ylpropan-1-ol |
|
C(O)C(C)N1CCCC1 | 0.0003 |
| FDBF02833 | 1-[(1R)-2-methoxy-1-methyl-ethyl]pyrrolidine |
|
C(OC)C(C)N1CCCC1 | 0.0003 |
