IUPAC name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILES
CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
Compound class
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; CYP3A4 Inhibitors; Beta2 Agonists;
Therapeutic area
For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD.
Common name
Salbutamol
IUPAC name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILES
CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
INCHI
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
FORMULA
C13H21NO3
Common name
Salbutamol
IUPAC name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Molecular weight
239.311
clogP
1.623
clogS
-2.345
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 |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF00793 | 4-(hydroxymethyl)phenol |
|
Oc1ccc(cc1)CO | 0.0038 |
| 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 |
| FDBF01333 | 4-[(1R)-1-hydroxyethyl]phenol |
|
CC(O)c1ccc(cc1)O | 0.0010 |
| FDBF02108 | 2-(hydroxymethyl)phenol |
|
Oc1c(cccc1)CO | 0.0014 |
