Ici 125436
[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate
Also Known As: Ici 125436|Ici 125,436|ICI-125,436|[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate|4-[1-hydroxy-2-({2-methyl-1-[(phenoxyacetyl)amino]propan-2-yl}amino)ethyl]benzene-1,2-diyl bis(2,2-dimethylpropanoate)|N-{2-[(2-{3,4-Bis[(2,2-dimethylpropanoyl)oxy]phenyl}-2-hydroxyethyl)amino]-2-methylpropyl}(phenoxy)ethanimidic acid|N-{2-[(2-{3,4-Bis[(2,2-dimethylpropanoyl)oxy]phenyl}-2-hydroxyethyl)amino]-2-methylpropyl}-2-phenoxyethanimidic acid|Propanoic acid, 2,2-dimethyl-, 4-(2-((1,1-dimethyl-2-((phenoxyacetyl)amino)ethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester
| Molecular Formula | C30H42N2O7 |
|---|---|
| Molecular Weight | 542.2992 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 542.2992 |
| Monoisotopic Mass | 542.2992 |
| Heavy Atoms | 39 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 6829-91-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC(C)(C)CNC(=O)COC2=CC=CC=C2)O)OC(=O)C(C)(C)C |
| InChIKey | SRCOWHUPXKTKOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 125436 (CAS 6829-91-0), with molecular formula C30H42N2O7 and molecular weight 542.2992 g/mol. IUPAC: [2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate.
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