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 |
|---|---|---|---|---|
| FDBF00030 | butan-1-amine |
|
C(CCN)C | 0.0106 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00069 | N-methylpropan-1-amine |
|
N(CCC)C | 0.0148 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00304 | phenylmethanol |
|
c1(ccccc1)CO | 0.0168 |
| FDBF00309 | (1R)-1-phenylethanol |
|
CC(O)c1ccccc1 | 0.0034 |
| FDBF00416 | butan-1-ol |
|
C(CC)CO | 0.0134 |
| FDBF00635 | (1R)-1-phenylpropan-1-ol |
|
C(C(O)c1ccccc1)C | 0.0017 |
28 ,
3
