| 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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