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CHEBI:85617 - 2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid

ChEBI IDCHEBI:85617
ChEBI Name2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
Stars
ASCII Name2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
DefinitionAn organic heterobicyclic compound that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine which has been substituted by a carboxy group at position 3 and by oxo groups at positions 2 and 5.
Last Modified11 February 2016
Submitterkalra
DownloadsMolfile
FormulaC10H8N2O4
Net Charge0
Average Mass220.184
Monoisotopic Mass220.04841
SMILESO=C1NC(C(=O)O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H8N2O4/c13-8-5-3-1-2-4-6(5)11-9(14)7(12-8)10(15)16/h1-4,7H,(H,11,14)(H,12,13)(H,15,16)
InChIKeyKZLVPXXVKVLMCG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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.
Application:
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)
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid (CHEBI:85617) is a 1,4-benzodiazepinone (CHEBI:35500)
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid (CHEBI:85617) is a lactam (CHEBI:24995)
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid (CHEBI:85617) is a monocarboxylic acid (CHEBI:25384)
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid (CHEBI:85617) is a organic heterobicyclic compound (CHEBI:27171)
IUPAC Name 
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
Synonyms  Source
kalra3ChEBI
3-carboxy-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepineChEBI