Nadoxolol (NIST)
Basic information
- CAS
54063-51-3- Standard SMILES
N/C(CC(O)COc1cccc2ccccc12)=N/O- InChIKey
UPZVYDSBLFNMLK-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Overview
See also: Nadoxolol (preferred).
Names & identifiers
- Preferred name
- Nadoxolol (NIST)
- IUPAC
- N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide
- English name
- Nadoxolol
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
Nadoxolol (NIST)(Z)-N',3-dihydroxy-4-(naphthalen-1-yloxy)butanimidamideCHEMBL357513SCHEMBL30539303NS00005813Nadoxolol3-Hydroxy-4-(1-naphtyloxy)butyramide oximeN,3-dihydroxy-4-(naphthalen-1-yloxy)butanamidineN',3-dihydroxy-4-naphthalen-1-yloxybutanimidamideButanimidamide, N,3-dihydroxy-4-(1-naphthalenyloxy)-
Database identifiers
- CAS
54063-51-3- PubChem CID
- 5360985
- ChEMBL
CHEMBL357513
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- FDA UNII
- 43 HU1689 · SK43HU1689
Chemistry & industry
Applications
UsesNadoxolol is a non-selective β-adrenaline receptor blocker that can be used in the study of arrhythmias. [1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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