IUPAC name
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide
SMILES
CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Compound class
Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii;
Therapeutic area
Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm.
Common name
Ibutilide
IUPAC name
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide
SMILES
CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
INCHI
InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3
FORMULA
C20H36N2O3S
Common name
Ibutilide
IUPAC name
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide
Molecular weight
384.576
clogP
3.568
clogS
-5.723
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
69.64
Number of Rings
1
Rotatable Bond
14
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00072 | N-methylbutan-1-amine |
|
N(CCCC)C | 0.0034 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00563 | N-ethyl-N-methyl-propan-1-amine |
|
C(C)CN(C)CC | 0.0031 |
| FDBF00696 | N,N-diethylethanamine |
|
C(C)N(CC)CC | 0.0079 |
28 ,
3
