| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 06:22:13 UTC |
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| Update Date | 2016-11-09 01:16:02 UTC |
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| Accession Number | CHEM019655 |
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| Identification |
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| Common Name | Biperiden hydrochloride |
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| Class | Small Molecule |
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| Description | The hydrochloride salt of biperiden. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease. |
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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-[3-(Bicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxy-3-phenylpropyl]piperidine hydrochloride | ChEBI | | 1-[3-(Bicyclo[2.2.1]hept-5-en-2-yl)-3-hydroxy-3-phenylpropyl]piperidinium chloride | ChEBI | | 1-Bicycloheptenyl-1-phenyl-3-piperidinopropanol-1 hydrochloride | ChEBI | | Biperiden HCL | ChEBI | | Tasmolin | Kegg | | Biperiden, 1S-(1 alpha,2 alpha(r*),4 alpha)-isomer | MeSH | | Biperidene | MeSH | | Hydrochloride, biperiden | MeSH | | Akineton | MeSH | | Biperiden | MeSH | | Biperiden, 1R-(1 alpha,2 alpha(r*),4 alpha)-isomer | MeSH | | alpha-bicyclo(2.2.1)Hept-5-en-2-yl-alpha-phenyl-1-piperidinepropanol | MeSH |
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| Chemical Formula | C21H30ClNO |
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| Average Molecular Mass | 347.922 g/mol |
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| Monoisotopic Mass | 347.202 g/mol |
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| CAS Registry Number | 1235-82-1 |
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| IUPAC Name | 1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride |
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| Traditional Name | biperiden hydrochloride |
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| SMILES | Cl.OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H |
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| InChI Key | RDNLAULGBSQZMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Amines |
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| Direct Parent | Aralkylamines |
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| Alternative Parents | |
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| Substituents | - Aralkylamine
- Monocyclic benzene moiety
- Piperidine
- Benzenoid
- 1,3-aminoalcohol
- Tertiary alcohol
- Tertiary amine
- Tertiary aliphatic amine
- Azacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Aromatic alcohol
- Hydrochloride
- Hydrocarbon derivative
- Organooxygen compound
- Organopnictogen compound
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | splash10-03di-3119000000-25525612384cb190f9e5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0009000000-b7f3b48161a4bc393aa5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0009000000-b7f3b48161a4bc393aa5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-0009000000-b7f3b48161a4bc393aa5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0009000000-51e80eeddcd165e77316 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0009000000-51e80eeddcd165e77316 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-0009000000-51e80eeddcd165e77316 | 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 | DBSALT000804 |
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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 | Biperiden |
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| Chemspider ID | Not Available |
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| ChEBI ID | 59171 |
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| PubChem Compound ID | 92151 |
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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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