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CHEBI:168745 - 4'-N-desmethylolanzapine

ChEBI IDCHEBI:168745
ChEBI Name4'-N-desmethylolanzapine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N4S
Net Charge0
Average Mass298.415
Monoisotopic Mass298.12522
SMILESCc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1
InChIInChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
InChIKeyFHPIXVHJEIZKJW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
4'-N-desmethylolanzapine (CHEBI:168745) is a benzodiazepine (CHEBI:22720)
IUPAC Name 
2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Manual XrefsDatabases
13394133ChemSpider
HMDB0060959HMDB
Registry NumbersSources
CAS:161696-76-0ChemIDplus