IUPAC name
2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide
SMILES
CC(C)NCC(O)COC1=CC=C(CC(N)=O)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;
Therapeutic area
For the management of hypertention and long-term management of patients with angina pectoris.
Common name
Atenolol
IUPAC name
2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide
SMILES
CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
INCHI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
FORMULA
C14H22N2O3
Common name
Atenolol
IUPAC name
2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide
Molecular weight
266.336
clogP
1.523
clogS
-2.687
HBond Acceptor
3
HBond Donor
4
Total Polar Surface Area
84.58
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00224 | (2R)-1-(4-methylphenoxy)propan-2-ol |
|
CC(COc1ccc(cc1)C)O | 0.0017 |
| FDBF00746 | 2-(4-methoxyphenyl)acetamide |
|
C(c1ccc(cc1)OC)C(=O)N | 0.0003 |
