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Chemical structure of Buspirone

GC76073

Buspirone

Also known as 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Buspirone is an orally active 5-HT1A receptor agonist, and a dopamine D2 autoreceptorsant antagonist

ChemicalCAS36505-84-7MW385.5FormulaC21H31N5O2
CAS number
36505-84-7
Molecular weight
385.5
Formula
C21H31N5O2
Solubility
DMSO： 100 mg/mL (259·40 mM; Need ultrasonic)
InChIKey
QWCRAEMEVRGPNT-UHFFFAOYSA-N
Catalogue number
GC76073
Brand
GLPBIO
Computed properties PubChem CID 2477 · XLogP 2.6 · TPSA 69.6 Ų · H-bond donors 0
XLogP
2.6
TPSA
69.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28

SMILES C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4

Computed descriptors from PubChem (CID 2477), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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