| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:55 UTC |
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| Update date | 2017-01-19 02:36:25 UTC |
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| FoodComEx ID | PC000490 |
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| FoodDB Record | FDB022707 |
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| Chemical Information |
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| Name | Propranolol |
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| Description | A widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. [HMDB] |
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| CAS Number | 525-66-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol | ChEBI | | 1-(Isopropylamino)-3-(1-naphthyloxy)propan-2-ol | ChEBI | | b-Propranolol | hmdb | | beta-Propranolol | hmdb | | Dociton | hmdb | | Euprovasin | hmdb | | Propanalol | hmdb | | Propanix | hmdb | | Propanolol | hmdb | | Propranololo | hmdb | | Propranololum | ChEBI | | β-propranolol | Generator |
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| Chemical Formula | C16H21NO2 |
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| IUPAC name | 1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol |
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| InChI Identifier | 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 |
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| InChI Key | AQHHHDLHHXJYJD-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12 |
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| Average Molecular Weight | 259.3434 |
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| Monoisotopic Molecular Weight | 259.157228921 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Naphthalenes |
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| Sub Class | Not Available |
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| Direct Parent | Naphthalenes |
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| Alternative Parents | |
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| Substituents | - Naphthalene
- Alkyl aryl ether
- 1,2-aminoalcohol
- Secondary alcohol
- Secondary aliphatic amine
- Ether
- Secondary amine
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Alcohol
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 500 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | 9835AJ |
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