Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-22 05:12:12 UTC |
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Update Date | 2016-11-09 01:15:47 UTC |
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Accession Number | CHEM018387 |
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Identification |
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Common Name | Amprolium hydrochloride |
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Class | Small Molecule |
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Description | Not Available |
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Contaminant Sources | - STOFF IDENT Compounds
- 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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Amprolium | Kegg | Anticoccid | MeSH | Amprolium hydrochloride | MeSH | Hydrochloride, amprolium | MeSH | Noé-socopharm hydrochloride | MeSH | Amprol | MeSH | Hydrochloride, noé-socopharm | MeSH | Amprolium chloride | MeSH | Noé socopharm hydrochloride | MeSH | Chloride, amprolium | MeSH | Némaprol | MeSH | Pyridinium, 1-((4-amino-2-propyl-5-pyrimidinyl)methyl)-2-methyl-, chloride (1:1) | MeSH |
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Chemical Formula | C14H20Cl2N4 |
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Average Molecular Mass | 315.240 g/mol |
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Monoisotopic Mass | 314.107 g/mol |
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CAS Registry Number | 137-88-2 |
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IUPAC Name | 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium hydrochloride chloride |
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Traditional Name | 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium hydrochloride chloride |
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SMILES | Cl.[Cl-].CCCC1=NC=C(C[N+]2=C(C)C=CC=C2)C(N)=N1 |
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InChI Identifier | InChI=1S/C14H19N4.2ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1 |
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InChI Key | PJBQYZZKGNOKNJ-UHFFFAOYSA-M |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Diazines |
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Sub Class | Pyrimidines and pyrimidine derivatives |
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Direct Parent | Aminopyrimidines and derivatives |
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Alternative Parents | |
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Substituents | - Aminopyrimidine
- Methylpyridine
- Pyridine
- Pyridinium
- Imidolactam
- Heteroaromatic compound
- Azacycle
- Organic chloride salt
- Hydrochloride
- Amine
- Organic salt
- Hydrocarbon derivative
- Organopnictogen compound
- Primary amine
- Organonitrogen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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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 | splash10-014i-0009000000-b7c614a19e8d0124f7f4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0009000000-b7c614a19e8d0124f7f4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-0009000000-b7c614a19e8d0124f7f4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0009000000-b9cb0320bd1be01376bb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0009000000-b9cb0320bd1be01376bb | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-0009000000-b9cb0320bd1be01376bb | 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 | DBSALT001817 |
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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 | Not Available |
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PubChem Compound ID | 8732 |
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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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