| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-20 16:16:07 UTC |
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| Update Date | 2016-11-09 01:15:20 UTC |
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| Accession Number | CHEM016136 |
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| Identification |
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| Common Name | Acriflavinium chloride |
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| Class | Small Molecule |
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| Description | The cation obtained from 3,6-diaminoacridine by methylation of the nitrogen at position 10. |
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| Contaminant Sources | - IARC Carcinogens Group 3
- STOFF IDENT Compounds
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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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| 3,6-Diamino-10-methylacridine | ChEBI | | Acriflavine dihydrochloride | MeSH | | Euflavin | MeSH | | Acriflavine chloride | MeSH | | Euflavine | MeSH | | 3,6-Diamino-10-methylacridinium thiocyanate | MeSH | | 3,6-Diamino-10-methylacridinium monohydrochloride | MeSH | | 3,6-Diamino-10-methylacridinium perrhenicacid (1:1) salt | MeSH | | 3,6-Diamino-10-methylacridinium sulfate(1:1) | MeSH | | Trypaflavine hydrochloride | MeSH | | 3,6-Diamino-10-methylacridinium hydrochloride | MeSH | | 3,6-Diamino-10-methylacridinium chloride | MeSH | | Acriflavine trichydrochloride | MeSH |
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| Chemical Formula | C14H14N3 |
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| Average Molecular Mass | 224.286 g/mol |
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| Monoisotopic Mass | 224.118 g/mol |
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| CAS Registry Number | 8018-07-3 |
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| IUPAC Name | 3,6-diamino-10-methylacridin-10-ium |
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| Traditional Name | 3,6-diamino-10-methylacridine |
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| SMILES | C[N+]1=C2C=C(N)C=CC2=CC2=C1C=C(N)C=C2 |
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| InChI Identifier | InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1 |
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| InChI Key | XSIOKTWDEOJMGG-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Quinolines and derivatives |
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| Sub Class | Benzoquinolines |
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| Direct Parent | Acridines |
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| Alternative Parents | |
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| Substituents | - Acridine
- Aminoquinoline
- Benzenoid
- Pyridinium
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organonitrogen compound
- Amine
- Organic cation
- 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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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-fa03260097241f7cf1d3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00b9-0090000000-45530da9d12987febdf5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0abc-1790000000-a895019bf736f0750172 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-4ba2d08cff570ecab4b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0090000000-173f7ce7e64567b53a96 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-1190000000-fedc8659d5d35776ce43 | 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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 60585 |
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| PubChem Compound ID | 2016 |
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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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