QUETIAPINE FUMARATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 2S3PL1B6UJ

Structure
InChI Key VRHJBWUIWQOFLF-WLHGVMLRSA-N
Smile O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
InChI
InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(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/h1-8,25H,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

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Phobia, Social 3 D000072861 ClinicalTrials
Borderline Personality Disorder 3 D001883 ClinicalTrials
Neurotic Disorders 3 D009497 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Psychomotor Agitation 3 D011595 ClinicalTrials
Alcoholism 3 D000437 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Anxiety Disorders 3 D001008 ClinicalTrials
Stress Disorders, Post-Traumatic 3 D013313 ClinicalTrials
Alcoholism 3 D000437 ClinicalTrials
Obsessive-Compulsive Disorder 3 D009771 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Psychotic Disorders 3 D011618 ClinicalTrials
Lecithin Cholesterol Acyltransferase Deficiency 1 D007863 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
19.75
Nervous system disorders
17.03
General disorders and administration site conditions
11.34
Injury, poisoning and procedural complications
10.37
Gastrointestinal disorders
5.61
Investigations
4.49
Musculoskeletal and connective tissue disorders
4.39
Respiratory, thoracic and mediastinal disorders
3.78
Vascular disorders
3.41
Cardiac disorders
3.37
Metabolism and nutrition disorders
3.28

Cross References

Resources Reference
ChEBI 8708
ChEMBL CHEMBL3188993
EPA CompTox DTXSID3044201
FDA SRS 2S3PL1B6UJ
Guide to Pharmacology 50
KEGG C07397
PubChem 5281025
SureChEMBL SCHEMBL41337
ZINC ZINC19632628
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