Basic information
- CAS
101479-70-3- Standard SMILES
CC(C)NCC(O)COc1ccc(CC(=O)OCCC23CC4CC(CC(C4)C2)C3)cc1- InChIKey
IPGLIOFIFLXLKR-UHFFFAOYSA-N- Molecular formula
- C26H39NO4
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.28790873
Overview
Adaprolol is an aromatic ether.
Names & identifiers
- Preferred name
- 2-Tricyclo(3.3.1.13,7)dec-1-ylethyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetate
- IUPAC
- 2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
- English name
- ADAPROLOL
- Molecular formula
- C26H39NO4
- Molecular weight
- 429.59
Names & synonyms
Adaprolol101479-70-3XP9911I1WLDTXSID90869360adaprololumRefChem:910279DTXCID008173522-Tricyclo(3.3.1.13,7)dec-1-ylethyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetateAdaprolol [INN]UNII-XP9911I1WL2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate;2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
Show more names
Benzeneacetic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, 2-tricyclo[3.3.1.13,7]dec-1-ylethyl esterADAPROLOL [WHO-DD]SCHEMBL123901CHEMBL435170orb1737864CHEBI:1777332-((3r,5r,7r)-adamantan-1-yl)ethyl 2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetateL001391
Database identifiers
- CAS
101479-70-3
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- FDA UNII
- 9911 I1WL · XP9911I1WL
Chemistry & industry
Applications
UsesAntihypertensive (β-blocker, ophthalmic).
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Adaprolol is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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