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

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ChEBI Name	2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid

ChEBI ID	CHEBI:85617

ChEBI ASCII Name	2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	kalra

Supplier Information

Download	Molfile XML SDF

Formula

C10H8N2O4

Net Charge

Average Mass

220.18150

Monoisotopic Mass

220.04841

InChI

InChI=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)

InChIKey

KZLVPXXVKVLMCG-UHFFFAOYSA-N

SMILES

OC(=O)C1NC(=O)c2ccccc2NC1=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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. (via benzodiazepine )

Application(s):	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. (via benzodiazepine )

ChEBI Ontology
Outgoing	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	Sources
3-carboxy-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine	ChEBI
kalra3	ChEBI

Last Modified

11 February 2016