IUPAC name
6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
SMILES
CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1
Compound class
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Cardiotonic 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 prevention and reversal of bronchospasm in patients 12 years of age and older with reversible bronchospasm including asthma.
Common name
Pirbuterol
IUPAC name
6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
SMILES
CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1
INCHI
InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
FORMULA
C12H20N2O3
Common name
Pirbuterol
IUPAC name
6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
Molecular weight
240.299
clogP
1.083
clogS
-2.124
HBond Acceptor
4
HBond Donor
4
Total Polar Surface Area
85.61
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF00814 | N,2-dimethylpropan-2-amine |
|
CNC(C)(C)C | 0.0058 |
| FDBF00815 | 2-(tert-butylamino)ethanol |
|
C(CO)NC(C)(C)C | 0.0048 |
| FDBF02910 | 6-(hydroxymethyl)pyridin-3-ol |
|
C(O)c1ncc(cc1)O | 0.0003 |
| FDBF02911 | 2-(hydroxymethyl)pyridin-3-ol |
|
C(O)c1ncccc1O | 0.0003 |
| FDBF02912 | 6-[(1S)-1-hydroxyethyl]pyridin-3-ol |
|
C(O)(C)c1ncc(cc1)O | 0.0003 |
| FDBF02913 | pyridin-3-ol |
|
n1cccc(c1)O | 0.0010 |
