4'-N-desmethylolanzapine (CHEBI:168745)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4'-N-desmethylolanzapine

ChEBI ID	CHEBI:168745

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H18N4S

Net Charge

Average Mass

298.410

Monoisotopic Mass

298.12522

InChI

InChI=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

InChIKey

FHPIXVHJEIZKJW-UHFFFAOYSA-N

SMILES

S1C=2NC=3C(N=C(N4CCNCC4)C2C=C1C)=CC=CC3

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
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	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

Registry Number	Type	Source
161696-76-0	CAS Registry Number	ChemIDplus