Tobuterol
[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Also Known As: Tobuterol|Tobuterol [INN]|[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate|(+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-3-phenylen di-4-toluat|[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)o|( -)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-3-phenylen di-4-toluat|(+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-m-phenylene di-p-toluate|5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(4-methylbenzoate)
| Molecular Formula | C28H31NO5 |
|---|---|
| Molecular Weight | 461.2202 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.2202 |
| Monoisotopic Mass | 461.2202 |
| Heavy Atoms | 34 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 75626-99-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C |
| InChIKey | GYJSIOWQEUTITA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tobuterol (CAS 75626-99-2), with molecular formula C28H31NO5 and molecular weight 461.2202 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.
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