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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24FN3O2S
Molecular Weight 401.498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SETOPERONE

SMILES

CC1=C(CCN2CCC(CC2)C(=O)C3=CC=C(F)C=C3)C(=O)N4CCSC4=N1

InChI

InChIKey=RBGAHDDQSRBDOG-UHFFFAOYSA-N
InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H24FN3O2S
Molecular Weight 401.498
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Setoperone is and antagonist of the brain serotonin 5-HT2 receptor and particular the 5-HT2A isoform. Setoperone is radiolabeled with the radioisotope fluorine-18 and is used in positron emission tomography (PET) in neuroimaging for the study neuropsychiatric disorders, such as schizophrenia and depression.

CNS Activity

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Unknown
Diagnostic
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
BQ67CS3Q3E
Record Status Validated (UNII)
Record Version