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CHEBI:49575 - diazepam
| Formula | C16H13ClN2O |
| Net Charge | 0 |
| Average Mass | 284.746 |
| Monoisotopic Mass | 284.07164 |
| SMILES | CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 |
| InChI | InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
| InChIKey | AAOVKJBEBIDNHE-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| Applications: | anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. anticonvulsant A drug used to prevent seizures or reduce their severity. GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| diazepam (CHEBI:49575) has role anticonvulsant (CHEBI:35623) |
| diazepam (CHEBI:49575) has role anxiolytic drug (CHEBI:35474) |
| diazepam (CHEBI:49575) has role environmental contaminant (CHEBI:78298) |
| diazepam (CHEBI:49575) has role sedative (CHEBI:35717) |
| diazepam (CHEBI:49575) has role xenobiotic (CHEBI:35703) |
| diazepam (CHEBI:49575) is a 1,4-benzodiazepinone (CHEBI:35500) |
| diazepam (CHEBI:49575) is a organochlorine compound (CHEBI:36683) |
| Incoming Relation(s) |
| diazepam-d8 (CHEBI:194180) has functional parent diazepam (CHEBI:49575) |
| fludiazepam (CHEBI:31618) has functional parent diazepam (CHEBI:49575) |
| IUPAC Name |
|---|
| 7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
| Synonyms | Source |
|---|---|
| 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one | NIST Chemistry WebBook |
| Diazepam | KEGG COMPOUND |
| methyl diazepinone | ChemIDplus |
| Valium | ChemIDplus |
| Citations |
|---|