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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: | sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. 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. 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 |
|---|