IUPAC name
1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol
SMILES
COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1
Compound class
Adrenergic beta-1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides;
Therapeutic area
For the treatment of angina pectoris and hypertension.
Common name
Bevantolol
IUPAC name
1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol
SMILES
COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1
INCHI
InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3
FORMULA
C20H27NO4
Common name
Bevantolol
IUPAC name
1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol
Molecular weight
345.433
clogP
3.957
clogS
-5.346
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
59.95
Number of Rings
2
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00222 | 1-ethyl-4-methoxy-benzene |
|
COc1ccc(cc1)CC | 0.0038 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF00958 | 1-methoxy-3-methyl-benzene |
|
Cc1cccc(c1)OC | 0.0038 |
| FDBF00960 | 1,2-dimethoxy-4-methyl-benzene |
|
Cc1ccc(c(c1)OC)OC | 0.0031 |
| FDBF02915 | 2-phenylethanamine |
|
NCCc1ccccc1 | 0.0010 |
| FDBF02918 | 2-(4-methoxyphenyl)ethanamine |
|
c1(ccc(cc1)OC)CCN | 0.0003 |
