Di-4-toluoylisoproterenol
[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Also Known As: Di-para-toluoylisoproterenol|Di-4-toluoylisoproterenol|CI 750|[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate|4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diyl bis(4-methylbenzoate)|Benzoic acid, 4-methyl-, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-phenylene ester|4-{1-Hydroxy-2-[(propan-2-yl)amino]ethyl}-1,2-phenylene bis(4-methylbenzoate)|Benzoic acid,4-methyl-, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-1,2-phenylene ester(9CI)
| Molecular Formula | C27H29NO5 |
|---|---|
| Molecular Weight | 447.20456 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.20456 |
| Monoisotopic Mass | 447.20456 |
| Heavy Atoms | 33 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 5440-80-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)C)O)OC(=O)C3=CC=C(C=C3)C |
| InChIKey | NMEIAFACWJORMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-4-toluoylisoproterenol (CAS 5440-80-2), with molecular formula C27H29NO5 and molecular weight 447.20456 g/mol. IUPAC: [4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.