| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:20 UTC |
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| Update date | 2017-01-19 02:36:28 UTC |
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| FoodComEx ID | PC000570 |
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| FoodDB Record | FDB022752 |
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| Chemical Information |
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| Name | Salbutamol |
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| Description | Salbutamol or albuterol is a short-acting beta 2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma. -- Pubchem [HMDB] |
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| CAS Number | 18559-94-9 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (l)-albuterol | hmdb | | 1-(tert-butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol | hmdb | | 2-(tert-butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol | hmdb | | 4-hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol | hmdb | | Aerolin | hmdb | | Albuterol | hmdb | | Almotex | hmdb | | Alpha'-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol | hmdb | | Alpha(sup 1)-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol | hmdb | | Alti-salbutamol | hmdb | | Anebron | hmdb | | Arubendol-salbutamol | hmdb | | Asmadil | hmdb | | Asmanil | hmdb | | Asmasal | hmdb | | Asmatol | hmdb | | Asmaven | hmdb | | Asmidon | hmdb | | Asmol | hmdb | | Asmol uni-dose | hmdb | | Asthalin | hmdb | | Broncho-spray | hmdb | | Broncovaleas | hmdb | | Bronter | hmdb | | Bugonol | hmdb | | Bumol | hmdb | | Butamol | hmdb | | Buto-asma | hmdb | | Butohaler | hmdb | | Butotal | hmdb | | Butovent | hmdb | | Buventol | hmdb | | Cobutolin | hmdb | | Dilatamol | hmdb | | DL-albuterol | hmdb | | DL-n-tert-butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine | hmdb | | DL-salbutamol | hmdb | | Farcolin | hmdb | | Gerivent | hmdb | | Grafalin | hmdb | | Levalbuterol | hmdb | | Libretin | hmdb | | Medolin | hmdb | | Mozal | hmdb | | Novosalmol | hmdb | | Parasma | hmdb | | Pneumolat | hmdb | | Proventil | hmdb | | Proventil hfa | hmdb | | Proventil inhaler | hmdb | | R-salbutamol | hmdb | | Respax | hmdb | | Respolin | hmdb | | Sabutal | hmdb | | Salamol | hmdb | | Salbetol | hmdb | | Salbron | hmdb | | Salbu-basf | hmdb | | Salbu-fatol | hmdb | | Salbuhexal | hmdb | | Salbulin | hmdb | | Salbupur | hmdb | | Salbusian | hmdb | | Salbutalan | hmdb | | Salbutamol free base | hmdb | | Salbutamol sulfate | HMDB | | Salbutamol sulphate | hmdb | | Salbutamolum | hmdb | | Salbutan | hmdb | | Salbutol | hmdb | | Salbuven | hmdb | | Salbuvent | hmdb | | Sallbupp | hmdb | | Salmaplon | hmdb | | Salomol | hmdb | | Salvent | hmdb | | Saventol | hmdb | | Servitamol | hmdb | | Spreor | hmdb | | Sultanol | hmdb | | Sultanol n | hmdb | | Suprasma | hmdb | | Suxar | hmdb | | Theosal | hmdb | | Tobybron | hmdb | | Vencronyl | hmdb | | Ventamol | hmdb | | Ventilan | hmdb | | Ventiloboi | hmdb | | Ventodisks | hmdb | | Ventolin | hmdb | | Ventolin inhaler | hmdb | | Ventolin rotacaps | hmdb | | Ventoline | hmdb | | Volare albuterol hfa | hmdb | | Volare easi-breathe | hmdb | | Volmax | hmdb | | Zaperin | hmdb |
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| Chemical Formula | C13H21NO3 |
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| IUPAC name | 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol |
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| InChI Identifier | InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1 |
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| InChI Key | NDAUXUAQIAJITI-LBPRGKRZSA-N |
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| Isomeric SMILES | CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1 |
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| Average Molecular Weight | 239.3107 |
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| Monoisotopic Molecular Weight | 239.152143543 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzyl alcohols |
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| Direct Parent | Benzyl alcohols |
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| Alternative Parents | |
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| Substituents | - Benzyl alcohol
- Phenol
- Aralkylamine
- 1-hydroxy-2-unsubstituted benzenoid
- Secondary alcohol
- 1,2-aminoalcohol
- Secondary amine
- Secondary aliphatic amine
- Hydrocarbon derivative
- Alcohol
- Aromatic alcohol
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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 20 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 | E290 |
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| AKSci | J10176 |
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| AKSci | J40091 |
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| AKSci | J91735 |
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| AKSci | HMDB0001937 |
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| Cayman Chemical | 21003 |
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| Glentham | GP7722 |
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| MetaSci | HMDB0001937 |
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| Toronto Research Chemicals | A514501 |
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