| Record Information |
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| Version | 1.0 |
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| Creation Date | 2014-09-08 02:38:23 UTC |
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| Update Date | 2016-11-09 01:09:10 UTC |
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| Accession Number | CHEM003587 |
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| Identification |
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| Common Name | 7H-Dibenzo[c,g]carbazole |
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| Class | Small Molecule |
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| Description | 7H-Dibenzo[c,g]carbazole (DBC) is is a needle-like solid, a potent multispecies, multisite carcinogen present in the environment. The metabolic activation pathways of DBC are not completely known. It may irritate the eyes, nose, and throat. |
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| Contaminant Sources | - Clean Air Act Chemicals
- IARC Carcinogens Group 2B
- T3DB toxins
- Tobacco Smoke Compounds
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| Contaminant Type | - Cigarette Toxin
- Lachrymator
- Natural Compound
- Organic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 7H-dibenzo(c,g)Carbazole | MeSH |
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| Chemical Formula | C20H13N |
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| Average Molecular Mass | 267.324 g/mol |
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| Monoisotopic Mass | 267.105 g/mol |
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| CAS Registry Number | 194-59-2 |
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| IUPAC Name | 12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene |
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| Traditional Name | 7H-dibenzo(C,G)carbazole |
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| SMILES | N1C2=C(C3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2 |
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| InChI Identifier | InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H |
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| InChI Key | STJXCDGCXVZHDU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Carbazoles |
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| Direct Parent | Carbazoles |
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| Alternative Parents | |
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| Substituents | - Carbazole
- Naphthalene
- Indole
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- 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 | Exogenous |
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| Cellular Locations | - Cytosol
- Extracellular matrix
- Membrane
- Microsome
- Nucleolus
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | | Name | SMPDB Link | KEGG Link |
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| Apoptosis | Not Available | map04210 |
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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 | Solid |
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| Appearance | White powder. |
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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-0090000000-16be8ce7e9408b10d329 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-0090000000-09cf9358310074b41d58 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014l-0190000000-b1d066cabb479c08c0e0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0090000000-8dd53e9ddc43622a8a5a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-0090000000-8dd53e9ddc43622a8a5a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-0090000000-ed1e9d1ae55f80fdc19c | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-014i-0690000000-ef23f53b46a489392c1a | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | 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) | 2B, possibly carcinogenic to humans. (1) |
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| Uses/Sources | This is a toxic chemical found in cigarettes or generated by tobacco combustion. |
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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 | Not Available |
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| PubChem Compound ID | 9134 |
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| Kegg Compound ID | C19221 |
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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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