BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

quetiapine fumarate

Synonyms
Definitions

A fumarate salt that has formula (C21H25N3O2S)2.C4H4O4.

ID

http://purl.obolibrary.org/obo/CHEBI_8708

alternative term

Seroquel

(C21H25N3O2S)2.C4H4O4

2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (2:1) (salt)

bis{2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol} (2E)-but-2-enedioate

InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey=ZTHJULTYCAQOIJ-WXXKFALUSA-N

[H+].[H+].[O-]C(=O)C=CC([O-])=O.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12

definition

A fumarate salt that has formula (C21H25N3O2S)2.C4H4O4.

has part

http://purl.obolibrary.org/obo/CHEBI_8707

label

quetiapine fumarate

prefixIRI

CHEBI:8708

prefLabel

quetiapine fumarate

subClassOf

http://purl.obolibrary.org/obo/CHEBI_50921

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