| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:39:49 UTC |
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| Update Date | 2016-11-09 01:15:53 UTC |
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| Accession Number | CHEM018913 |
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| Identification |
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| Common Name | Noreximide |
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| Class | Small Molecule |
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| Description | Not Available |
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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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| Noreximide | MeSH | | Norborn-5-ene-2,3-cis-exo-dicarboximide | MeSH | | Noreximide, potassium salt | MeSH | | Noreximide, (3aalpha,4beta,7beta,7aalpha)-isomer | MeSH | | Norendimide | MeSH | | Noreximide, (3aalpha,4alpha,7alpha,7aalph )-isomer | MeSH |
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| Chemical Formula | C9H9NO2 |
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| Average Molecular Mass | 163.176 g/mol |
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| Monoisotopic Mass | 163.063 g/mol |
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| CAS Registry Number | 6319-06-8 |
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| IUPAC Name | (1S,2S,6R,7R)-5-hydroxy-4-azatricyclo[5.2.1.0²,⁶]deca-4,8-dien-3-one |
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| Traditional Name | (1S,2S,6R,7R)-5-hydroxy-4-azatricyclo[5.2.1.0²,⁶]deca-4,8-dien-3-one |
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| SMILES | [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C(=O)N=C(O)[C@]21[H] |
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| InChI Identifier | InChI=1S/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)/t4-,5+,6+,7- |
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| InChI Key | GPIUUMROPXDNRH-RNGGSSJXSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Isoindoles and derivatives |
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| Sub Class | Isoindolines |
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| Direct Parent | Isoindolones |
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| Alternative Parents | |
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| Substituents | - Isoindolone
- 2-pyrrolidone
- Pyrrolidone
- Carboxylic acid imide
- Dicarboximide
- Carboxylic acid imide, n-unsubstituted
- Pyrrolidine
- Lactam
- Carboxylic acid derivative
- Azacycle
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic 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 | splash10-03di-0900000000-597ead268eb744027700 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-3900000000-85497035419daba2c0e5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014l-9200000000-c7c362f7e87a1b5d199a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0900000000-b76a949a4775153cd8e0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-2900000000-b72035b15dea00a21f7c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9100000000-870fb8b8c15a2a368f12 | 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 | Not Available |
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| PubChem Compound ID | 65584 |
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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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