Basic information
- CAS
55837-19-9- Standard SMILES
CC(C)NCC(O)COc1ccccc1C1CCCCC1- InChIKey
ABXHHEZNIJUQFM-UHFFFAOYSA-N- Molecular formula
- C18H29NO2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.21982917
Overview
Exaprolol is a lipophilic derivative of the adrenergic blocking agent propranolol with sympatholytic activity. Exaprolol competitively binds to and blocks beta-adrenergic receptors in the heart and vascular smooth muscle, thereby causing negative chronotropic and inotropic effects leading to a reduction in cardiac output.
Names & identifiers
- Preferred name
- Exaprolol
- IUPAC
- 1-(2-cyclohexylphenoxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- Exaprolol
- Molecular formula
- C18H29NO2
- Molecular weight
- 291.43
Names & synonyms
exaprolol55837-19-9ExaprololumEsaprololoVulm 111Q4XX54I93R1-Isopropylamino-3-(2-cyclohexylphenoxy)-2-propanolDTXSID20866509VULM-111VULM-456RefChem:139706DTXCID40814789
Show more names
1-(2-Cyclohexylphenoxy)-3-[(1-methylethyl)amino]-2-propanol2-Propanol, 1-(2-cyclohexylphenoxy)-3-[(1-methylethyl)amino]-
Exaprolol [INN]1-(2-cyclohexylphenoxy)-3-(propan-2-ylamino)propan-2-olEsaprololo [DCIT]Exaprololum [INN-Latin]BRN 1993835UNII-Q4XX54I93R1-(2-Cyclohexylphenoxy)-3-((1-methylethyl)amino)-2-propanol1-(O-Cyklohexyl)fenoxy-3-izopropyl(aminopropan-1-ol) [Czech]
Database identifiers
- CAS
55837-19-9- PubChem CID
- 65485
- DTXSID
DTXSID20866509- ChEMBL
CHEMBL2110841- UNII
- Q4XX54I93R
- Nikkaji
- J19.834J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
LogP2.86
Physicochemical properties
- Boiling point
- 445.2 · 445.2±40.0 °C(Predicted)
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.20(Predicted)
- FDA UNII
- 4 XX54I93R · Q4XX54I93R
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Applications
UsesAnti-adrenergic (-receptor).
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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