IUPAC name
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
SMILES
CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
Compound class
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia.
Common name
Propafenone
IUPAC name
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
SMILES
CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
INCHI
InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
FORMULA
C21H27NO3
Common name
Propafenone
IUPAC name
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
Molecular weight
341.444
clogP
4.553
clogS
-5.548
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
58.56
Number of Rings
2
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00069 | N-methylpropan-1-amine |
|
N(CCC)C | 0.0148 |
| FDBF00220 | (2R)-1-phenoxypropan-2-ol |
|
CC(COc1ccccc1)O | 0.0045 |
| FDBF00287 | 2-(methylamino)ethanol |
|
C(CO)NC | 0.0089 |
| FDBF01472 | 1-phenylpropan-1-one |
|
c1(ccccc1)C(=O)CC | 0.0017 |
| FDBF02680 | 3-phenylpropanal |
|
c1(ccccc1)CCC=O | 0.0003 |
| FDBF02681 | 1-(2-hydroxyphenyl)ethanone |
|
c1(c(cccc1)O)C(=O)C | 0.0014 |
| FDBF02684 | 1-(2-methoxyphenyl)ethanone |
|
c1(c(cccc1)OC)C(=O)C | 0.0010 |
