| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 06:20:15 UTC |
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| Update Date | 2016-11-09 01:16:01 UTC |
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| Accession Number | CHEM019607 |
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| Identification |
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| Common Name | Mephentermine hemisulfate |
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| Class | Small Molecule |
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| Description | Mephentermine is a cardiac stimulant. It was formerly used in Wyamine nasal decongestant inhalers and before that as a stimulant in psychiatry.
It has been used as a treatment for low blood pressure.ATC Classification: C01CA11 - mephentermine ; Belongs to the class of adrenergic and dopaminergic cardiac stimulants excluding glycosides. Used in the treatment of heart failure. |
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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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| Wyamine sulfate | Kegg | | Wyamine sulfuric acid | Generator | | Wyamine sulphate | Generator | | Wyamine sulphuric acid | Generator | | Mephentermine sulfuric acid | Generator | | Mephentermine sulphate | Generator | | Mephentermine sulphuric acid | Generator | | Mephentermine | MeSH | | Mephentermine sulfate (2:1) | MeSH | | Sulfate, mephentermine | MeSH | | N,2-Dimethyl-1-phenylpropan-2-amine;sulfate | Generator | | N,2-Dimethyl-1-phenylpropan-2-amine;sulphate | Generator | | N,2-Dimethyl-1-phenylpropan-2-amine;sulphuric acid | Generator | | Mephentermine sulfate | MeSH | | Bis(methyl(2-methyl-1-phenylpropan-2-yl)amine); sulfate | Generator | | Bis(methyl(2-methyl-1-phenylpropan-2-yl)amine); sulphate | Generator | | Bis(methyl(2-methyl-1-phenylpropan-2-yl)amine); sulphuric acid | Generator |
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| Chemical Formula | C22H36N2O4S |
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| Average Molecular Mass | 424.600 g/mol |
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| Monoisotopic Mass | 424.240 g/mol |
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| CAS Registry Number | 1212-72-2 |
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| IUPAC Name | bis(methyl(2-methyl-1-phenylpropan-2-yl)amine); sulfuric acid |
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| Traditional Name | bis(mephentermine); sulfuric acid |
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| SMILES | OS(O)(=O)=O.CNC(C)(C)CC1=CC=CC=C1.CNC(C)(C)CC1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/2C11H17N.H2O4S/c2*1-11(2,12-3)9-10-7-5-4-6-8-10;1-5(2,3)4/h2*4-8,12H,9H2,1-3H3;(H2,1,2,3,4) |
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| InChI Key | DNKCFBJMFIUNRS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. |
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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 | Phenethylamines |
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| Direct Parent | Amphetamines and derivatives |
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| Alternative Parents | |
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| Substituents | - Amphetamine or derivatives
- Phenylpropane
- Aralkylamine
- Sulfuric acid
- Organic sulfuric acid or derivatives
- Secondary amine
- Secondary aliphatic amine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Not Available |
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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 | splash10-004i-0000900000-426343a9d0fe8a78149f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0000900000-426343a9d0fe8a78149f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0000900000-426343a9d0fe8a78149f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0000900000-fce612f75ae4fece319c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0000900000-fce612f75ae4fece319c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-0000900000-fce612f75ae4fece319c | 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 | DBSALT001074 |
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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 | Mephentermine |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 71611 |
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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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