Divabuterol
[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
Also Known As: Divabuterol|Divabuterol [INN]|divabuterolum|4-Chloro-2-iodotoluene|KWD-2085|[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate|(+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-m-phenylene dipivalate|[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropa|(- )-5-(2-(tert-Butylamino)-1-hydroxyethyl)-m-phenylene dipivalate.|(+/-)-5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-M-PHENYLENE DIPIVALATE|5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(2,2-dimethylpropanoate)|3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(2,2-dimethylpropanoyl)oxy]phenyl 2,2-dimethylpropanoate|Bis(2,2-dimethylpropanoic acid)5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester
| Molecular Formula | C22H35NO5 |
|---|---|
| Molecular Weight | 393.25153 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 393.25153 |
| Monoisotopic Mass | 393.25153 |
| Heavy Atoms | 28 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 6318-39-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)(C)C |
| InChIKey | VJJOKWOJJZKXNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Divabuterol (CAS 6318-39-4), with molecular formula C22H35NO5 and molecular weight 393.25153 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate.
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