IUPAC name
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(propan-2-yl)amino]butyl]-1,2-dihydroquinolin-2-one
SMILES
CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
Compound class
Sympathomimetics; 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 and chronic obstructive pulmonary disease (COPD).
Common name
Procaterol
IUPAC name
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(propan-2-yl)amino]butyl]-1,2-dihydroquinolin-2-one
SMILES
CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
INCHI
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1
FORMULA
C16H22N2O3
Common name
Procaterol
IUPAC name
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(propan-2-yl)amino]butyl]-1,2-dihydroquinolin-2-one
Molecular weight
290.357
clogP
2.841
clogS
-3.610
HBond Acceptor
3
HBond Donor
4
Total Polar Surface Area
85.35
Number of Rings
2
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 |
| 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 |
| FDBF02990 | 8-hydroxy-1H-quinolin-2-one |
|
O=c1[nH]c2c(cccc2O)cc1 | 0.0007 |
