| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 17 | Yes |
Popular Name: Clenbuterol hydrochloride Clenbuterol hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 21898-19-1 , 37148-27-9 , 69930-61-6 , [21898-19-1]
(+)-4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol
(-)-4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol
(-)-clenbuterol; (R)-(-)-clenbuterol
1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanol
1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]ethanol
21898-19-1; Clenbuterol hydrochloride (JAN/USP); D01360; Spiropent (TN)
21898-19-1; Clenbuterol hydrochloride; Prestwick_761
37148-27-9; Clenbuterol (INN); Contraspasmin (TN); D07713; Planipart [veterinary] (TN)
4-Amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol
4-Amino-alfa-(t-butylaminomethyl)-3,5-dichlorobenzyl alcohol hydrochloride
4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol
Benzenemethanol, 4-amino-3,5-dichloro-.alpha.-[[(1,1-dimethylethyl)amino]methyl]-
BENZENEMETHANOL, 4-AMINO-3,5-DICHLORO-alpha-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-
Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichloro-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.79 | 2.94 | -38.56 | 5 | 3 | 1 | 63 | 278.203 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.12e-01 g/l | DrugBank-approved |
| Purity | 98% | APIChem |
| Therapy | bronchodilator, beta2 adrenergic agonist | SMDC Iconix |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 570 | 0.51 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 13 | 0.65 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 570 | 0.51 | Binding ≤ 1μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 1300 | 0.48 | Binding ≤ 10μM |
| ADRB2_CAVPO | Q8K4Z4 | Beta-2 Adrenergic Receptor, Guinea Pig | 13 | 0.65 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
