| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:49:34 UTC |
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| Update Date | 2016-11-09 01:15:30 UTC |
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| Accession Number | CHEM016958 |
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| Identification |
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| Common Name | Amiloride hydrochloride |
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| Class | Small Molecule |
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| Description | A hydrochloride obtained by combining amiloride with one molar equivalent of hydrochloric acid. |
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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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| Amiloride chloride | ChEBI | | Amiloride HCL | ChEBI | | Amiloride hydrochloride anhydrous | ChEBI | | Amiloride monohydrochloride | ChEBI | | N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide monohydrochloride | ChEBI | | Amiloride hydrochloride | MeSH | | Berolina brand OF amiloride hydrochloride | MeSH | | Kaluril | MeSH | | Merck sharp and dohme brand OF amiloride hydrochloride | MeSH | | Amiloride hydrochloride, anhydrous | MeSH | | Cahill may roberts brand OF amiloride hydrochloride | MeSH | | Amiloberag | MeSH | | Merck brand OF amiloride hydrochloride | MeSH | | Trommsdorff brand OF amiloride hydrochloride | MeSH | | Alphapharm brand OF amiloride hydrochloride | MeSH | | Amiduret trom | MeSH | | Douglas brand OF amiloride hydrochloride | MeSH | | Hydrochloride, amiloride | MeSH | | Amidal | MeSH | | Trom, amiduret | MeSH | | Anhydrous amiloride hydrochloride | MeSH | | Hydrochloride, anhydrous amiloride | MeSH | | Modamide | MeSH | | Amiloride | MeSH | | Amrad brand OF amiloride hydrochloride | MeSH | | Midamor | MeSH | | Midoride | MeSH |
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| Chemical Formula | C6H9Cl2N7O |
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| Average Molecular Mass | 266.090 g/mol |
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| Monoisotopic Mass | 265.025 g/mol |
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| CAS Registry Number | 2016-88-8 |
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| IUPAC Name | 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide hydrochloride |
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| Traditional Name | amilorida hydrochloride |
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| SMILES | Cl.NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N |
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| InChI Identifier | InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H |
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| InChI Key | ACHKKGDWZVCSNH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring. |
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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 | Pyrazines |
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| Direct Parent | Aminopyrazines |
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| Alternative Parents | |
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| Substituents | - Aminopyrazine
- Aryl chloride
- Aryl halide
- Imidolactam
- Heteroaromatic compound
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Azacycle
- Organic nitrogen compound
- Amine
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Imine
- Organopnictogen compound
- Hydrocarbon derivative
- Hydrochloride
- Organic oxygen compound
- 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 - LC-ESI-qTof , Positive | splash10-0v4i-1691000000-c4842fe2c3070d6e90dd | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-01b9-3900000000-3004ed4fd46223c9127f | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-001i-2980000000-0d961d121ac6e883cffc | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-01b9-3900000000-3004ed4fd46223c9127f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0090000000-0ceac3546ad8fd318e3f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0090000000-0ceac3546ad8fd318e3f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-0090000000-0ceac3546ad8fd318e3f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0090000000-7c56c7caf3112080b618 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0090000000-7c56c7caf3112080b618 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-0090000000-7c56c7caf3112080b618 | 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 | DBSALT001807 |
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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 | Amiloride |
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| Chemspider ID | Not Available |
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| ChEBI ID | 84743 |
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| PubChem Compound ID | 16230 |
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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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