| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:02 UTC |
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| Update date | 2017-01-19 02:36:38 UTC |
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| FoodComEx ID | PC000840 |
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| FoodDB Record | FDB023575 |
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| Chemical Information |
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| Name | Guaifenesin |
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| Description | Guaifenesin (INN) or guaiphenesin (former BAN) is an expectorant drug usually taken orally to assist the expectoration ('bringing up') of phlegm from the airways in acute respiratory tract infections. It is a common ingredient in many over-the-counter cough/cold medications. Guaifenesin is also used in the experimental guaifenesin protocol in the treatment of fibromyalgia. It was first approved by the Food and Drug Administration (FDA) in 1952. Guaifenesin works by drawing water into the bronchi. The water both thins mucus and lubricates the airway, facilitating the removal of mucus by coughing. [HMDB] |
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| CAS Number | 93-14-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-(2-Methoxyphenoxy)-1,2-propanediol | hmdb | | 3-(o-Methoxyphenoxy)-1,2-propanediol | hmdb | | 3-(o-Methoxyphenoxy)-propanediol-1,2 | hmdb | | 3-o-Methoxyphenoxypropane 1:2-diol | hmdb | | a-Glyceryl guaiacol ether | hmdb | | a-Glyceryl guaiacolate ether | hmdb | | Actifed C | hmdb | | Aeronesin | hmdb | | alpha-Glyceryl guaiacol ether | hmdb | | alpha-Glyceryl guaiacolate ether | hmdb | | Amonidren | hmdb | | Amonidrin | hmdb | | Aresol | hmdb | | Benylin-E | hmdb | | Bronchol | hmdb | | glycerin ether | hmdb | | Glycerin guaiacolate | hmdb | | Glycero-guaiacol ether | hmdb | | Glycerol a-(2-methoxyphenyl) ether | hmdb | | Glycerol a-(o-methoxyphenyl)ether | hmdb | | Glycerol a-guaiacyl ether | hmdb | | Glycerol a-guiacyl ether | hmdb | | Glycerol a-monoguaiacol ether | hmdb | | Glycerol guaiacolate | hmdb | | Glycerol mono(2-methoxyphenyl) ether | hmdb | | Glycerol-a-guajakolether | hmdb | | Glycerol-alpha-guajakolether | hmdb | | Glyceryl guaiacol | hmdb | | Glyceryl guaiacol ether | hmdb | | Glyceryl guaiacolate | hmdb | | Glyceryl guaiacolate ether | hmdb | | Glyceryl guaiacyl ether | hmdb | | Glyceryl guaicolate | hmdb | | Glyceryl guiacolate | hmdb | | Glycerylguaiacol | hmdb | | Guaiacol glycerol ether | hmdb | | Guaiacol glyceryl ether | hmdb | | Guaiacolglicerinetere | hmdb | | Guaiacuran | hmdb | | Guaiacurane | hmdb | | Guaiacyl glyceryl ether | hmdb | | Guaiamar | hmdb | | Guaianesin | hmdb | | Guaicol glycerine ether | hmdb | | Guaicol glyceryl ether | hmdb | | Guaifenesin | hmdb | | Guaifenesine | hmdb | | Guaiphenesin | hmdb | | Guaiphenesine | hmdb | | Guaiphesin | hmdb | | Hustosil | Kegg | | Methoxypropanediol | hmdb | | Methphenoxydiol | hmdb | | Metossipropandiolo | hmdb | | o-Methoxyphenyl glyceryl ether | hmdb | | Organidin NR | hmdb | | Pneumomist | hmdb | | Propanosedyl | hmdb | | Reduton | hmdb | | Robitussin | Kegg |
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| Chemical Formula | C10H14O4 |
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| IUPAC name | 3-(2-methoxyphenoxy)propane-1,2-diol |
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| InChI Identifier | InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 |
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| InChI Key | HSRJKNPTNIJEKV-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC=CC=C1OCC(O)CO |
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| Average Molecular Weight | 198.2158 |
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| Monoisotopic Molecular Weight | 198.089208936 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenol ethers |
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| Sub Class | Anisoles |
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| Direct Parent | Anisoles |
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| Alternative Parents | |
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| Substituents | - Phenoxy compound
- Methoxybenzene
- Anisole
- Alkyl aryl ether
- Monocyclic benzene moiety
- Secondary alcohol
- 1,2-diol
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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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 1 g |
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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 | J10304 |
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| AKSci | K695 |
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| Cayman Chemical | 21250 |
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| Toronto Research Chemicals | G810500 |
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