IUPAC name
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol
SMILES
CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1
Compound class
Sympathomimetics; Bronchodilator Agents; Adrenergic beta-Agonists; Respiratory System; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Sympathomimetics, Labour Repressants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Beta2 Agonists;
Therapeutic area
Used as a bronchodilator in the treatment of asthma patients.
Common name
Clenbuterol
IUPAC name
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol
SMILES
CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1
INCHI
InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
FORMULA
C12H18Cl2N2O
Common name
Clenbuterol
IUPAC name
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol
Molecular weight
277.190
clogP
2.779
clogS
-4.106
HBond Acceptor
1
HBond Donor
4
Total Polar Surface Area
58.28
Number of Rings
1
Rotatable Bond
4
| 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 |
| FDBF01294 | 2,6-dichloroaniline |
|
Clc1c(c(ccc1)Cl)N | 0.0010 |
| FDBF03001 | (4-amino-3,5-dichloro-phenyl)methanol |
|
Nc1c(cc(cc1Cl)CO)Cl | 0.0003 |
| FDBF03002 | (1S)-1-(4-amino-3,5-dichloro-phenyl)ethanol |
|
CC(c1cc(c(c(c1)Cl)N)Cl)O | 0.0003 |
