IUPAC name
1-[2-(prop-2-en-1-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=CC=C1CC=C
Compound class
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the treatment of hypertension, angina, and arrhythmia.
Common name
Alprenolol
IUPAC name
1-[2-(prop-2-en-1-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=CC=C1CC=C
INCHI
InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
FORMULA
C15H23NO2
Common name
Alprenolol
IUPAC name
1-[2-(prop-2-en-1-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
Molecular weight
249.349
clogP
3.171
clogS
-3.546
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
41.49
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF00415 | o-cresol |
|
c1c(c(ccc1)O)C | 0.0058 |
| FDBF01942 | 2-allylphenol |
|
Oc1c(cccc1)CC=C | 0.0003 |
| FDBF01943 | 2-(2-methylphenoxy)ethanol |
|
C(O)COc1c(cccc1)C | 0.0007 |
| FDBF01945 | (2R)-1-(2-methylphenoxy)propan-2-ol |
|
C(O)(C)COc1c(cccc1)C | 0.0003 |
25 ,
3
