IUPAC name
1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
SMILES
COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
Compound class
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the management of acute myocardial infarction, angina pectoris, heart failure and mild to moderate hypertension. May be used to treat supraventricular and tachyarrhythmias and as prophylaxis for migraine headaches.
Common name
Metoprolol
IUPAC name
1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
SMILES
COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
INCHI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
FORMULA
C15H25NO3
Common name
Metoprolol
IUPAC name
1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
Molecular weight
267.364
clogP
2.743
clogS
-3.629
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
50.72
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00220 | (2R)-1-phenoxypropan-2-ol |
|
CC(COc1ccccc1)O | 0.0045 |
| FDBF00221 | 2-(4-methylphenoxy)ethanol |
|
C(Oc1ccc(cc1)C)CO | 0.0021 |
| FDBF00223 | (2S)-1-(isopropylamino)propan-2-ol |
|
C(NC(C)C)C(C)O | 0.0034 |
| FDBF00258 | 4-(2-methoxyethyl)phenol |
|
c1(ccc(cc1)O)CCOC | 0.0014 |
