IUPAC name
4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol
SMILES
CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
Compound class
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists;
Therapeutic area
For the treatment of asthma, wheezing, and chronic asthmatic bronchitis.
Common name
Isoetarine
IUPAC name
4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol
SMILES
CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
INCHI
InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
FORMULA
C13H21NO3
Common name
Isoetarine
IUPAC name
4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol
Molecular weight
239.311
clogP
1.607
clogS
-1.989
HBond Acceptor
3
HBond Donor
4
Total Polar Surface Area
72.72
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00203 | benzene-1,2-diol |
|
c1cc(c(cc1)O)O | 0.0079 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF00244 | N-propylpropan-2-amine |
|
C(C)(C)NCCC | 0.0024 |
| FDBF00416 | butan-1-ol |
|
C(CC)CO | 0.0134 |
11 ,
2
