IUPAC name
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
SMILES
CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1
Compound class
Antihypertensive Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective;
Therapeutic area
Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity.
Common name
Penbutolol
IUPAC name
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
SMILES
CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1
INCHI
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1
FORMULA
C18H29NO2
Common name
Penbutolol
IUPAC name
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
Molecular weight
291.428
clogP
3.717
clogS
-4.228
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
41.49
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF00815 | 2-(tert-butylamino)ethanol |
|
C(CO)NC(C)(C)C | 0.0048 |
| FDBF01177 | (2R)-1-(tert-butylamino)propan-2-ol |
|
C(C(O)C)NC(C)(C)C | 0.0017 |
| FDBF02985 | 2-cyclopentylphenol |
|
Oc1c(cccc1)C2CCCC2 | 0.0003 |
| FDBF02986 | (2S)-1-phenoxypropan-2-ol |
|
C(O)(C)COc1ccccc1 | 0.0010 |
