perospirone   

GtoPdb Ligand ID: 7556

Synonyms: Lullan® (Japan)
perospirone is an approved drug
Compound class: Synthetic organic
Comment: Perospirone is an azapirone class atypical (second generation) antipsychotic. A higher incidence of extrapyramidal side-effects is associated with perospirone use than with other atypical antipsychotics, but fewer than reported with typical (first generation) antipsychotics.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 84.99
Molecular weight 426.21
XLogP 3.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1CCCC2
Isomeric SMILES O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2
InChI InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+
InChI Key FBVFZWUMDDXLLG-HDICACEKSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
(3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Synonyms
Lullan® (Japan)
Database Links
ChEMBL Ligand CHEMBL1472975
DrugCentral Ligand 2112
GtoPdb PubChem SID 223365892
PubChem CID 115368
Search Google for chemical match using the InChIKey FBVFZWUMDDXLLG-HDICACEKSA-N
Search Google for chemicals with the same backbone FBVFZWUMDDXLLG
Search UniChem for chemical match using the InChIKey FBVFZWUMDDXLLG-HDICACEKSA-N
Search UniChem for chemicals with the same backbone FBVFZWUMDDXLLG
Wikipedia Perospirone