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CHEBI:8499 - propranolol
| Formula | C16H21NO2 |
| Net Charge | 0 |
| Average Mass | 259.349 |
| Monoisotopic Mass | 259.15723 |
| SMILES | CC(C)NCC(O)COc1cccc2ccccc12 |
| InChI | InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 |
| InChIKey | AQHHHDLHHXJYJD-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS90) |
| Roles Classification |
|---|
| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. beta-adrenergic antagonist An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. |
| Applications: | anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. vasodilator agent A drug used to cause dilation of the blood vessels. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. beta-adrenergic antagonist An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| propranolol (CHEBI:8499) has functional parent 1-naphthol (CHEBI:10319) |
| propranolol (CHEBI:8499) has role anti-arrhythmia drug (CHEBI:38070) |
| propranolol (CHEBI:8499) has role antihypertensive agent (CHEBI:35674) |
| propranolol (CHEBI:8499) has role anxiolytic drug (CHEBI:35474) |
| propranolol (CHEBI:8499) has role environmental contaminant (CHEBI:78298) |
| propranolol (CHEBI:8499) has role human blood serum metabolite (CHEBI:85234) |
| propranolol (CHEBI:8499) has role vasodilator agent (CHEBI:35620) |
| propranolol (CHEBI:8499) has role xenobiotic (CHEBI:35703) |
| propranolol (CHEBI:8499) has role β-adrenergic antagonist (CHEBI:35530) |
| propranolol (CHEBI:8499) is a naphthalenes (CHEBI:25477) |
| propranolol (CHEBI:8499) is a propanolamine (CHEBI:35533) |
| propranolol (CHEBI:8499) is a secondary amine (CHEBI:32863) |
| Incoming Relation(s) |
| propranolol hydrochloride (CHEBI:8500) has part propranolol (CHEBI:8499) |
| (R)-(+)-propranolol (CHEBI:8736) is a propranolol (CHEBI:8499) |
| IUPAC Name |
|---|
| 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol |
| INNs | Source |
|---|---|
| propranolol | WHO MedNet |
| propranolol | ChemIDplus |
| propranolol | WHO MedNet |
| propranololum | WHO MedNet |
| Synonyms | Source |
|---|---|
| 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol | ChemIDplus |
| 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol | IUPAC |
| Propanalol | NIST Chemistry WebBook |
| Propanolol | NIST Chemistry WebBook |
| Propranolol | KEGG COMPOUND |
| propranololo | WHO MedNet |
| Manual Xrefs | Databases |
|---|---|
| 2303 | DrugCentral |
| C07407 | KEGG COMPOUND |
| D08443 | KEGG DRUG |
| DB00571 | DrugBank |
| HMDB0001849 | HMDB |
| LSM-4329 | LINCS |
| Propranolol | Wikipedia |
| Citations |
|---|