Cloranolol
Basic information
- CAS
39563-28-5- Standard SMILES
CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl- InChIKey
XYCMOTOFHFTUIU-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2NO2
- Average molar mass
- 292.2 g/mol
- Monoisotopic mass
- 291.0792842
Overview
Cloranolol is a dichlorobenzene.
Names & identifiers
- Preferred name
- Cloranolol
- IUPAC
- 1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol
- English name
- Cloranolol
- Molecular formula
- C13H19Cl2NO2
- Molecular weight
- 292.2
Names & synonyms
Cloranololchloranolol39563-28-5CloranololumQ3U058H86VRefChem:127093C07AA27Tobanum1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-olChloranolol-d9Cloranolol [INN]1-(tert-Butylamino)-3-(2,5-dichlorophenoxy)-2-propanol
Show more names
1-(2,5-Dichlorophenoxy)-3-(tert-butylamino)-2-propanol1-(2,5-Dichlorophenoxy)-3-[(1,1-diMethylethyl)aMino]-2-propanol2-Propanol, 1-(2,5-dichlorophenoxy)-3-[(1,1-dimethylethyl)amino]-
Cloranolol (INN)Cloranololum [INN-Latin]Gyki 41099UNII-Q3U058H86VDTXSID308659622-Propanol, 1-(2,5-dichlorophenoxy)-3-[(1,1-dimethylethyl)amino]-; 1-(2,5-Dichlorophenoxy)-3-[(1,1-dimethylethyl)amino]-2-propanol; 1-tert-Butylamino-3-(2,5-dichlorophenoxy)-2-propanol; Chloranolol; Cloranolol; TobanumCLORANOLOL [MI]2-Propanol, 1-(2,5-dichlorophenoxy)-3-((1,1-dimethylethyl)amino)-
Database identifiers
- CAS
39563-28-5- PubChem CID
- 65814
- DTXSID
DTXSID30865962- ChEMBL
CHEMBL156791- ChEBI
CHEBI:135217- UNII
- Q3U058H86V
- Nikkaji
- J16.607C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 82 · 82-83°
- Boiling point
- 408.3 · 408.3±45.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.76 · 13.76±0.20(Predicted)
- color
- White
- FDA UNII
- 3 U058H86V · Q3U058H86V
- ATC code
- 7 AA27 · C07AA27
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Applications
UsesChloranolol is a β-adrenergic blocher. Chloranolol is used as an antiarrhythmic.
Additional notes
DefinitionChEBI: Cloranolol is a dichlorobenzene.
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Related reactions
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Compound notes
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