Basic information
- CAS
86487-64-1- Standard SMILES
Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2- InChIKey
RBGAHDDQSRBDOG-UHFFFAOYSA-N- Molecular formula
- C21H24FN3O2S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.15732635
Overview
Setoperone is an aromatic ketone.
Names & identifiers
- Preferred name
- Setoperone
- IUPAC
- 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- English name
- 5H-Thiazolo[3,2a]pyrimidin-5-one, 6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl-
- Molecular formula
- C21H24FN3O2S
- Molecular weight
- 401.5
Names & synonyms
Setoperone86487-64-1SetoperonaSetoperonumDTXSID9057848R 52,245BQ67CS3Q3ER-522455H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-7-methyl-DTXCID0031637RefChem:93166118F-fluorosetoperone
Show more names
R 522456-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydro-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one5H-Thiazolo[3,2a]pyrimidin-5-one, 6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl-
6-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-oneSetoperonum [Latin]Setoperona [Spanish]Setoperone [USAN:INN]UNII-BQ67CS3Q3ERBGAHDDQSRBDOG-UHFFFAOYSA-NSEPTOPERONE
Database identifiers
- CAS
86487-64-1- PubChem CID
- 68604
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 692
Experimental & physicochemical properties
LogP2.34
Physicochemical properties
- FDA UNII
- 67 CS3Q3E · BQ67CS3Q3E
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesAntipsychotic.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
4 records
Compound notes
Loading…