| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 06:19:59 UTC |
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| Update Date | 2016-11-09 01:16:01 UTC |
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| Accession Number | CHEM019599 |
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| Identification |
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| Common Name | Diphenylpyraline hydrochloride |
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| Class | Small Molecule |
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| Description | The hydrochloride salt of diphenylpyraline. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. |
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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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| 1-Methyl-4-piperidyl benzhydryl ether hydrochloride | ChEBI | | 1-Methylpiperidyl-4-benzhydrylether hydrochloride | ChEBI | | 4-(Diphenylmethoxy)-1-methylpiperidine hydrochloride | ChEBI | | Diphenylpyraline HCL | ChEBI | | Hispril | Kegg | | Vena | Kegg | | Lergobine | MeSH | | Diphenylpyraline | MeSH | | 4-Diphenylmethoxy-1-methylpiperidine | MeSH | | Diphenylpyraline maleate (2:1) | MeSH |
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| Chemical Formula | C19H24ClNO |
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| Average Molecular Mass | 317.853 g/mol |
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| Monoisotopic Mass | 317.155 g/mol |
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| CAS Registry Number | 132-18-3 |
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| IUPAC Name | 4-(diphenylmethoxy)-1-methylpiperidine hydrochloride |
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| Traditional Name | diphenylpyraline hydrochloride |
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| SMILES | Cl.CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H |
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| InChI Key | LPRLDRXGWKXRMQ-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
- Piperidine
- Tertiary amine
- Tertiary aliphatic amine
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Azacycle
- Hydrochloride
- Amine
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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-2910000000-b7b402e54f92680afdaf | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0009000000-5684c70464f208b0228a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0009000000-5684c70464f208b0228a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-0009000000-5684c70464f208b0228a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0009000000-0cf91d6ee132a0c80ab2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0009000000-0cf91d6ee132a0c80ab2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-0009000000-0cf91d6ee132a0c80ab2 | 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 | DBSALT000807 |
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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 | 31508 |
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| PubChem Compound ID | 66063 |
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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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