| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:54:11 UTC |
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| Update Date | 2016-11-09 01:15:56 UTC |
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| Accession Number | CHEM019196 |
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| Identification |
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| Common Name | Norfenefrine hydrochloride |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - 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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| Zondel | Kegg | | Norfenefrine citrate (1:1), (R)-(R-(r*,r*))-isomer | MeSH | | Norfenefrine hydrochloride | MeSH | | Norfenefrine, (-)-isomer | MeSH | | Norphenylephrine | MeSH | | A.S. cor | MeSH | | Norfenefrin ziethen | MeSH | | Norfenefrine hydrochloride, (S)-isomer | MeSH | | Norfenefrine sulfate | MeSH | | Norfenefrin-ratiopharm | MeSH | | Novadral | MeSH | | Norfenefrine citrate (1:1), (R-(r*,r*))-isomer | MeSH | | Norfenefrine hydrochloride, (+,-)-isomer | MeSH | | 3-Octopamine | MeSH | | alpha-(Aminomethyl)-3-hydroxybenzyl alcohol | MeSH | | Norfenefrine hydrochloride, (R)-isomer | MeSH | | Norfenefrine, (+)-isomer | MeSH | | Norfenefrine, (+,-)-isomer | MeSH | | Norfenefrine, 2H-labeled CPD | MeSH | | m-Octopamine | MeSH | | Norfenefrine | MeSH |
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| Chemical Formula | C8H12ClNO2 |
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| Average Molecular Mass | 189.640 g/mol |
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| Monoisotopic Mass | 189.056 g/mol |
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| CAS Registry Number | 4779-94-6 |
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| IUPAC Name | 3-(2-amino-1-hydroxyethyl)phenol hydrochloride |
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| Traditional Name | norfenefrine hydrochloride |
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| SMILES | Cl.NCC(O)C1=CC(O)=CC=C1 |
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| InChI Identifier | InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H |
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| InChI Key | OWMFSWZUAWKDRR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. |
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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 | 1-hydroxy-4-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
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| Alternative Parents | |
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| Substituents | - 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Monocyclic benzene moiety
- 1,2-aminoalcohol
- Secondary alcohol
- Organic nitrogen compound
- Organic chloride salt
- Hydrocarbon derivative
- Organic salt
- Organic zwitterion
- Aromatic alcohol
- Organopnictogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Amine
- 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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| 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 | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-7affed0f70d9b97192c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0900000000-7affed0f70d9b97192c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0900000000-7affed0f70d9b97192c1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-4e4a225d0a19e95807da | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-4e4a225d0a19e95807da | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0900000000-4e4a225d0a19e95807da | Spectrum |
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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 | Not Available |
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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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 20907 |
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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 | Not Available |
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