QUETIAPINE FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 2S3PL1B6UJ
EPA CompTox DTXSID3044201

Structure

InChI Key ZTHJULTYCAQOIJ-WXXKFALUSA-N
Smiles O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
InChI
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+

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H54N6O8S2
Molecular Weight 883.11
AlogP 2.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 48.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST DailyMed

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246

Cross References

Resources Reference
ChEBI 8708
ChEMBL CHEMBL3188993
FDA SRS 2S3PL1B6UJ
Guide to Pharmacology 50
KEGG C07397
PubChem 5281025
SureChEMBL SCHEMBL41337
ZINC ZINC19632628
CONTENTS