Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:30:30 UTC |
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Update Date | 2016-11-09 01:09:15 UTC |
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Accession Number | CHEM003955 |
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Identification |
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Common Name | Epinephrine |
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Class | Small Molecule |
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Description | A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. |
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Contaminant Sources | - Clean Air Act Chemicals
- FooDB Chemicals
- HMDB Contaminants - Urine
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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(+-)-Adrenaline | ChEBI | (+-)-Epinephrine | ChEBI | 2-(Methylamino)-1-(3,4-dihydroxyphenyl)ethanol | ChEBI | DL-Adrenaline | ChEBI | Epinephrine racemic | ChEBI | Racepinefrina | ChEBI | Racepinefrine | ChEBI | Racepinefrinum | ChEBI | Epinephrine, racemic mixture | HMDB | Hydrochloride, racepinephrine | HMDB | Mixture epinephrine, racemic | HMDB | Adrenaline, racemic mixture | HMDB | Micronefrin | HMDB | Mixture adrenaline, racemic | HMDB | Racemic mixture adrenaline | HMDB | Racepinephrine | HMDB | Vaponefrin | HMDB | Adrenaline, racemic | HMDB | Bird brand OF racepinefrine hydrochloride | HMDB | Epinephrine hydrochloride, racemic mixture | HMDB | Racemic adrenaline | HMDB | Racemic mixture epinephrine | HMDB | Adrenaline hydrochloride, racemic mixture | HMDB | Epinephrine, racemic | HMDB | Micronephrine | HMDB | Racemic epinephrine | HMDB | Racepinephrine hydrochloride | HMDB |
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Chemical Formula | C9H13NO3 |
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Average Molecular Mass | 183.204 g/mol |
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Monoisotopic Mass | 183.090 g/mol |
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CAS Registry Number | 51-43-4 |
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IUPAC Name | 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |
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Traditional Name | (+-)-adrenaline |
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SMILES | CNCC(O)C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3 |
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InChI Key | UCTWMZQNUQWSLP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Benzenediols |
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Direct Parent | Catechols |
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Alternative Parents | |
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Substituents | - Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Monocyclic benzene moiety
- 1,2-aminoalcohol
- Secondary alcohol
- Secondary amine
- Secondary aliphatic amine
- Aromatic alcohol
- Alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Organopnictogen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0062515 |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Epinephrine |
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Chemspider ID | Not Available |
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ChEBI ID | 33568 |
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PubChem Compound ID | 838 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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