IUPAC name
1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
Compound class
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For management of heart failure, angina pectoris, and mild to moderate hypertension and for secondary prevention of myocardial infarction (MI).
Common name
Bisoprolol
IUPAC name
1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol
SMILES
CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
INCHI
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
FORMULA
C18H31NO4
Common name
Bisoprolol
IUPAC name
1-[(propan-2-yl)amino]-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propan-2-ol
Molecular weight
325.443
clogP
3.369
clogS
-4.184
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
59.95
Number of Rings
1
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| 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 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF01391 | ethoxymethylbenzene |
|
O(Cc1ccccc1)CC | 0.0031 |
