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CHEBI:192657 - alpha-Hydroxyalprazolam

ChEBI IDCHEBI:192657
ChEBI Namealpha-Hydroxyalprazolam
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13ClN4O
Net Charge0
Average Mass324.771
Monoisotopic Mass324.07779
SMILESOCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
InChIInChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
InChIKeyZURUZYHEEMDQBU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
Roles Classification
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)
alpha-Hydroxyalprazolam (CHEBI:192657) is a triazolobenzodiazepine (CHEBI:35501)
IUPAC Name 
(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
Manual XrefsDatabases
142474ChemSpider
HMDB0013943HMDB
Registry NumbersSources
CAS:37115-43-8ChemIDplus