Compound: buspirone
SMILES: O=C1N(C(=O)CC2(C1)CCCC2)CCCCN3CCN(c4ncccn4)CC3
InChIKey: QWCRAEMEVRGPNT-UHFFFAOYSA-N
Synonyms: buspirone, 36505-84-7, Buspirona, Ansial, Buspironum, Gen-Buspirone, Bespar, 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione, 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione, TK65WKS8HL, 8-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)-8-azaspiro[4.5]decane-7,9-dione, 8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione, DTXSID2022707, BCI-024, 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, CHEBI:3223, DTXCID402707, 8-Azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)-, 8-Azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, ratio Buspirone, Novo Buspirone, Apo Buspirone, Gen Buspirone, Lin Buspirone, Nu Buspirone, PMS Buspirone, 8-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)-8-azaspiro(4.5)decane-7,9-dione, 8-(4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl)-8-azaspiro(4.5)decane-7,9-dione, RefChem:57602, N-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-1-cyclopentanediacetamide, N05BE01, 253-072-2, Buspironum [INN-Latin], Buspirona [INN-Spanish], Buspirone free base, buspin, Buspirone (INN), CHEMBL49, 8-Azaspiro[4.5]decane-7,9-dione,8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione, NCGC00015162-04, BUSPIRONE [INN], Buspirone [INN:BAN], Buspirone-MDTS, 116753-41-4, CAS-36505-84-7, Gen-Buspirone (TN), EINECS 253-072-2, UNII-TK65WKS8HL, BRN 0964904, Buspirone; 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- (9CI), YLX, Buspirone (Standard), Spectrum_001756, Tocris-0962, BUSPIRONE [MI], Prestwick0_000369, Prestwick1_000369, Prestwick2_000369, Prestwick3_000369, BUSPIRONE [VANDF], Lopac-B-7148, Biomol-NT_000108, GTPL36, BUSPIRONE [WHO-DD], Lopac0_000223, SCHEMBL16398, BSPBio_000497, KBioSS_002236, BIDD:GT0519, DivK1c_000921, SPBio_002418, BPBio1_000547, BPBio1_001403, HY-B1115AR, orb1306479, EX-A8006F, HY-B1115A, KBio1_000921, KBio2_002236, KBio2_004804, KBio2_007372, NINDS_000921, GLXC-03404, HMS2090K19, Tox21_110092, Tox21_302371, BDBM50001859, EBC-26886, STK086268, AKOS002313325, Tox21_110092_1, CCG-204318, DB00490, SDCCGSBI-0050211.P004, 8-[4-[4-(pyrimidine-2-yl)-piperazine-1-yl]-butyl]-8-aza-spiro[4.5]decane-7,9-dione, IDI1_000921, MRF-0000691, Buspirone 100 microg/mL in Acetonitrile, NCGC00015162-01, NCGC00015162-02, NCGC00015162-03, NCGC00015162-05, NCGC00015162-06, NCGC00015162-07, NCGC00015162-08, NCGC00015162-10, NCGC00015162-11, NCGC00015162-22, NCGC00016820-01, NCGC00024905-01, NCGC00024905-02, NCGC00024905-03, NCGC00255227-01, FB172600, Buspirone 1000 microg/mL in Acetonitrile, SBI-0050211.P003, CAS-33386-08-2, AB00053432, NS00005411, ST50759566, C06861, D07593, G78140, AB00053432-12, AB00053432_13, EN300-19748949, L001110, Q412194, BRD-K93461745-001-01-5, BRD-K93461745-003-03-7, BRD-K93461745-003-14-4, BRD-K93461745-003-23-5, BRD-K93461745-003-24-3, BRD-K93461745-003-25-0, 8-[4-(4-pyrimidin-2-ylpiperazinyl)butyl]-8-azaspiro[4.5]decane-7,9-dione, 8-(4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl)-8-azaspiro[4.5]decane-7,9-dione #, 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4,5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-butyl]-8-azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(pyrimidine-2yl)-piperazine-1-yl]-butyl]-8-aza-spiro[4.5]decane-7.9-dione, (buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione, 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione : (Hydrochloride), 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione; Hydrochloride(Buspirone)
Theoretical properties:
molecular_formula: C21H31N5O2
molecular_weight: 385.5 g/mol
exact_mass: 385.24777525 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 6
heavy_atom_count: 28
topological_polar_surface_area: 69.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 201.5-202.5
solubility: 5.88e-01 g/L
Descriptions:
{"pubchem": "Buspirone is an azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N4 position. It has a role as an anxiolytic drug, a sedative, a serotonergic agonist and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is an azaspiro compound, an organic heteropolycyclic compound, a member of pyrimidines, a N-alkylpiperazine, a N-arylpiperazine and a member of piperidones. It is a conjugate base of a buspirone(1+).", "chebi": "An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the <em>N</em><small><sup>4</small></sup> position.", "chembl": "BUSPIRONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Buspirone, sold under the name Buspar among others, is an anxiolytic medication primarily used for the treatment of generalized anxiety disorder. Unlike benzodiazepines, buspirone does not produce significant sedation, dependence, or withdrawal symptoms. \nBuspirone\u2019s principal mechanism of action involves partial agonism at postsynaptic serotonin 5-HT1A receptors and full agonism at presynaptic 5-HT1A autoreceptors, which initially reduces serotonergic neuron firing. Over time, autoreceptor desensitization occurs, leading to increased serotonin release and enhanced serotonergic tone, which may contribute to its clinical efficacy. It has a delayed onset of action of 2\u20134 weeks. Buspirone also has weak antagonistic effects at dopamine D2, D3, and D4 receptors and \u03b11- and \u03b12-adrenergic receptors. \nBuspirone is approved for the management of generalized anxiety disorder. It is sometimes used off-label for other anxiety disorders, as antidepressant augmentation in depression, for hypoactive sexual desire disorder in women, antidepressant-induced sexual dysfunction, and bruxism. Buspirone is not effective as a sedative\u2013hypnotic or muscle relaxant and does not have anticonvulsant properties.\nCommon side effects of buspirone include nausea, headaches, dizziness, and difficulty concentrating. Serious side effects may include movement disorders, serotonin syndrome, and seizures. Its use in pregnancy appears to be safe but has not been well studied, and use during breastfeeding has not been well studied either.\nBuspirone was developed in 1968 and approved for medical use in the United States in 1986. It is available as a generic medication. In 2023, it was the 40th most commonly prescribed medication in the United States, with more than 15 million prescriptions."}