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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: | 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. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. 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. |
| 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. 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. 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. |
| 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 |
|---|