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Chemical structure of Perospirone

GC39237

Perospirone

Also known as (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Perospirone (SM-9018 free base) is an orally active antagonist of 5-HT2A receptor (Ki=0·6 nM) and dopamine D2 receptor (Ki=1·4 nM), and also a partial agonist of 5-HT1A receptor (Ki=2·9 nM)

ChemicalCAS150915-41-6MW426.57FormulaC23H30N4O2S
CAS number
150915-41-6
Molecular weight
426.57
Formula
C23H30N4O2S
Solubility
DMSO ： 5 mg/mL (11·72 mM; Need ultrasonic)
InChIKey
FBVFZWUMDDXLLG-HDICACEKSA-N
Catalogue number
GC39237
Brand
GLPBIO
Computed properties PubChem CID 115368 · XLogP 3.9 · TPSA 85 Ų · H-bond donors 0
XLogP
3.9
TPSA
85 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

SMILES C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

Computed descriptors from PubChem (CID 115368), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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