Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:52 UTC |
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Update Date | 2022-03-07 02:52:01 UTC |
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HMDB ID | HMDB0015556 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Phenindamine |
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Description | Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold. Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures. |
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Structure | CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1 InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3 |
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Synonyms | Value | Source |
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Nolahist | HMDB | Thephorin | HMDB | Phenindiamine | HMDB | Allphar brand OF phenindamine tartrate | HMDB | Phenindamine tartrate | HMDB | Carnrick brand OF phenindamine tartrate | HMDB | Phenindamine hydrochloride | HMDB | 1H-Indeno(2,1-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-9-phenyl-, hydrochloride | HMDB |
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Chemical Formula | C19H19N |
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Average Molecular Weight | 261.3609 |
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Monoisotopic Molecular Weight | 261.151749613 |
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IUPAC Name | 2-methyl-9-phenyl-1H,2H,3H,4H,9H-indeno[2,1-c]pyridine |
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Traditional Name | phenindamine |
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CAS Registry Number | 82-88-2 |
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SMILES | CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3 |
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InChI Key | ISFHAYSTHMVOJR-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as indenes and isoindenes. Indenes and isoindenes are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Indenes and isoindenes |
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Sub Class | Not Available |
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Direct Parent | Indenes and isoindenes |
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Alternative Parents | |
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Substituents | - Indene
- Monocyclic benzene moiety
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 91 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.028 g/L | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized | Show more...
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Phenindamine EI-B (Non-derivatized) | splash10-03di-3390000000-7cea42f060f24de790da | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Phenindamine EI-B (Non-derivatized) | splash10-03di-3390000000-7cea42f060f24de790da | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Phenindamine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0f8a-0290000000-547a5e3db2e5cabcc59f | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Phenindamine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-03di-4490000000-4842a14b86b472cf0cee | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 10V, Positive-QTOF | splash10-03di-0090000000-8a0e9fa3c4714c045aa9 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 20V, Positive-QTOF | splash10-03di-1190000000-64a0ce684860b94c231f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 40V, Positive-QTOF | splash10-00kf-7690000000-1add7abc6fff88be6a92 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 10V, Negative-QTOF | splash10-03di-0090000000-69b760fd313ac3b2c3bf | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 20V, Negative-QTOF | splash10-03di-0090000000-13f720d14b954b94f645 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 40V, Negative-QTOF | splash10-004l-7390000000-9e0ed21c2b87e43b560c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 10V, Positive-QTOF | splash10-03di-0090000000-0d299f046e5a4471e86b | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 20V, Positive-QTOF | splash10-02t9-0090000000-a970417edf3a243995ff | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 40V, Positive-QTOF | splash10-066r-2290000000-b1bfe98355aaed735626 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 10V, Negative-QTOF | splash10-03di-0090000000-3092a98ff8ef390e6a18 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 20V, Negative-QTOF | splash10-03di-0090000000-3092a98ff8ef390e6a18 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Phenindamine 40V, Negative-QTOF | splash10-03di-0190000000-efcf72f39e45fb0fb719 | 2021-10-11 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01619 | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01619 | | details |
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Abnormal Concentrations |
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| Not Available |
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Predicted Concentrations |
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Blood | 0.000 uM | Adult (>18 years old) | Both | Normal | Predicted based on drug qualities | Blood | 0.000 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | Predicted based on drug qualities |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB01619 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 10817 |
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KEGG Compound ID | C07790 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Phenindamine |
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METLIN ID | Not Available |
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PubChem Compound | 11291 |
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PDB ID | Not Available |
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ChEBI ID | 130096 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | Not Available |
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