| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:59:06 UTC |
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| Update Date | 2016-11-09 01:15:32 UTC |
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| Accession Number | CHEM017166 |
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| Identification |
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| Common Name | Orphenadrine hydrochloride |
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| Class | Small Molecule |
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| Description | A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride. |
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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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| 2-Dimethylaminoethyl 2-methylbenzhydryl ether hydrochloride | ChEBI | | Disipal | ChEBI | | Mefenamin hydrochloride | ChEBI | | N,N-Dimethyl-2-(O-methyl-alpha-phenylbenzyloxy)ethylamine hydrochloride | ChEBI | | N,N-Dimethyl-2-(O-methyl-a-phenylbenzyloxy)ethylamine hydrochloride | Generator | | N,N-Dimethyl-2-(O-methyl-α-phenylbenzyloxy)ethylamine hydrochloride | Generator | | Orphenadrine citrate | MeSH | | Sodium mefenamine | MeSH | | Norflex | MeSH | | Lysantin | MeSH | | Mephenamine | MeSH | | Hydrochloride, orphenadrine | MeSH | | Mefenamine | MeSH | | Orphenadrine | MeSH | | Methyldiphenylhydramine | MeSH | | Citrate, norflex orphenadrine | MeSH | | Mefenamine, sodium | MeSH | | Norflex orphenadrine citrate | MeSH | | Orphenadrine citrate, norflex | MeSH | | Orphenadrine hydrochloride | MeSH | | Citrate, orphenadrine | MeSH |
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| Chemical Formula | C18H24ClNO |
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| Average Molecular Mass | 305.850 g/mol |
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| Monoisotopic Mass | 305.155 g/mol |
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| CAS Registry Number | 341-69-5 |
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| IUPAC Name | dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine hydrochloride |
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| Traditional Name | orphenadrine hydrochloride |
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| SMILES | Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C |
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| InChI Identifier | InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H |
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| InChI Key | UQZKYYIKWZOKKD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
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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 | Diphenylmethanes |
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| Direct Parent | Diphenylmethanes |
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| Alternative Parents | |
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| Substituents | - Diphenylmethane
- Benzylether
- Toluene
- Tertiary amine
- Tertiary aliphatic amine
- Ether
- Dialkyl ether
- Organopnictogen compound
- Amine
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Hydrochloride
- 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 | | Spectrum Type | Description | Splash Key | View |
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| LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-014i-2900000000-89e623bb6b299738fc1b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0009000000-548fb2434ede64df56b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0009000000-548fb2434ede64df56b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0009000000-548fb2434ede64df56b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-9654b728ab2a1b9cc6ab | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0009000000-9654b728ab2a1b9cc6ab | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0009000000-9654b728ab2a1b9cc6ab | 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 | DBSALT001021 |
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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 | Orphenadrine |
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| Chemspider ID | Not Available |
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| ChEBI ID | 60902 |
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| PubChem Compound ID | 9568 |
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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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