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 |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00287 | 2-(methylamino)ethanol |
|
C(CO)NC | 0.0089 |
| FDBF00290 | N-methyl-2-phenyl-ethanamine |
|
C(Cc1ccccc1)NC | 0.0014 |
| FDBF00729 | 2-(ethylamino)ethanol |
|
N(CCO)CC | 0.0065 |
| FDBF01522 | 1-ethyl-3-methoxy-benzene |
|
CCc1cc(ccc1)OC | 0.0010 |
| FDBF02569 | (2S)-1-(ethylamino)propan-2-ol |
|
CCNCC(O)C | 0.0007 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF02919 | (2R)-1-(3-methylphenoxy)propan-2-ol |
|
C(Oc1cc(ccc1)C)C(O)C | 0.0003 |
