Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-22 06:21:11 UTC |
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Update Date | 2016-11-09 01:16:02 UTC |
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Accession Number | CHEM019633 |
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Identification |
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Common Name | Cifenline succinate |
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Class | Small Molecule |
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Description | Cibenzoline (or cifenline) is a Class Ia antiarrhythmic.
Pituxate & Ecipramidil are other gem-diphenyl cyclopropanyl drugs. |
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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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Cibenol | Kegg | Cipralan | Kegg | Cibenzoline succinic acid | Generator | 2-(2,2-Diphenylcyclopropyl)-2-imidazoline | MeSH | Cibenzoline | MeSH | Cifenline, (S)-isomer | MeSH | Cifenline succinate | MeSH | Exacor | MeSH | Cifenline | MeSH | Cifenline succinic acid | Generator | Butanedioate;2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole | Generator | Cibenzoline succinate | MeSH, KEGG | 2-(2,2-Diphenylcyclopropyl)-4,5-dihydro-1H-imidazole | | butanedioate | |
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Chemical Formula | C22H24N2O4 |
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Average Molecular Mass | 380.444 g/mol |
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Monoisotopic Mass | 380.174 g/mol |
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CAS Registry Number | 100678-32-8 |
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IUPAC Name | 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole; butanedioic acid |
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Traditional Name | cibenzoline; succinic acid |
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SMILES | OC(=O)CCC(O)=O.C1C(C2=NCCN2)C1(C1=CC=CC=C1)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C18H18N2.C4H6O4/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17;5-3(6)1-2-4(7)8/h1-10,16H,11-13H2,(H,19,20);1-2H2,(H,5,6)(H,7,8) |
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InChI Key | XFUIOIWYMHEPIE-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
- Dicarboxylic acid or derivatives
- Imidolactam
- 2-imidazoline
- Amidine
- Carboxylic acid amidine
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic 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 | splash10-001i-0009000000-48abf0042b72b26698ea | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0009000000-48abf0042b72b26698ea | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0009000000-48abf0042b72b26698ea | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0009000000-44eedc653f3494c40398 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0009000000-44eedc653f3494c40398 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-0009000000-44eedc653f3494c40398 | 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 | Not Available |
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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 | Cibenzoline |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 57952 |
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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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