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 |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00169 | 1-methoxypropane |
|
CCCOC | 0.0062 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF00634 | 3-(methylamino)propan-1-ol |
|
C(CO)CNC | 0.0021 |
| FDBF01799 | N-benzylethanamine |
|
N(CC)Cc1ccccc1 | 0.0024 |
| FDBF02824 | 1-methoxy-2-methyl-propane |
|
COCC(C)C | 0.0014 |
| FDBF02832 | 1-(2-methoxyethyl)pyrrolidine |
|
C(OC)CN1CCCC1 | 0.0003 |
