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 |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF01527 | 4-ethyl-1,2-dimethoxy-benzene |
|
CCc1cc(c(cc1)OC)OC | 0.0010 |
| FDBF01630 | (2S)-1-(methylamino)propan-2-ol |
|
CNCC(O)C | 0.0017 |
| FDBF02917 | 2-(3-methoxyphenyl)ethanamine |
|
c1(cc(ccc1)OC)CCN | 0.0003 |
