CHEBI:3611 - chlordiazepoxide

ChEBI IDCHEBI:3611
ChEBI Namechlordiazepoxide
Stars
DefinitionA benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H14ClN3O
Net Charge0
Average Mass299.761
Monoisotopic Mass299.08254
SMILESCNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=N(=O)C1
InChIInChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyANTSCNMPPGJYLG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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.
anaesthesia adjuvant  Any substance that possesses little anaesthetic effect by itself, but which enhances or potentiates the anaesthetic action of other drugs when given at the same time.
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)
chlordiazepoxide (CHEBI:3611) has role anaesthesia adjuvant (CHEBI:60807)
chlordiazepoxide (CHEBI:3611) has role anxiolytic drug (CHEBI:35474)
chlordiazepoxide (CHEBI:3611) has role sedative (CHEBI:35717)
chlordiazepoxide (CHEBI:3611) is a N-oxide (CHEBI:35580)
chlordiazepoxide (CHEBI:3611) is a benzodiazepine (CHEBI:22720)
chlordiazepoxide (CHEBI:3611) is a organochlorine compound (CHEBI:36683)
chlordiazepoxide (CHEBI:3611) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
chlordiazepoxide hydrochloride (CHEBI:3612) has part chlordiazepoxide (CHEBI:3611)
IUPAC Name 
7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide
INNs  Source
chlordiazepoxideChemIDplus
chlordiazepoxidumChemIDplus
Synonyms  Source
7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxideNIST Chemistry WebBook
CDPNIST Chemistry WebBook
chlordiazepoxide baseDrugBank
clopoxideNIST Chemistry WebBook
methaminodiazepoxideChemIDplus
Brand Names  Source
HelogaphenDrugBank
LibritabsChemIDplus
MultumDrugBank
RisolidDrugBank
SilibrinDrugBank
TropiumChemIDplus
Manual XrefsDatabases
594DrugCentral
ChlordiazepoxideWikipedia
D00267KEGG DRUG
DB00475DrugBank
HMDB0014618HMDB
MY6500040Patent
US2893992Patent
US3122474Patent
Registry NumbersSources
Reaxys:550356Reaxys
CAS:58-25-3ChemIDplus
CAS:58-25-3NIST Chemistry WebBook
Citations