Compound: Tandospirone
SMILES: O=C1N(C(=O)[C@H]2[C@@H]1[C@H]3C[C@@H]2CC3)CCCCN4CCN(c5ncccn5)CC4
InChIKey: CEIJFEGBUDEYSX-FZDBZEDMSA-N
Synonyms: Tandospirone, 87760-53-0, tandospirona, tandospironum, DTXSID6048836, DTXCID3028762, CHEBI:145673, 190230I669, SM-3997, (1R*,2S*,3R*,4S*)-N-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-2,3-NORBORNANEDICARBOXIMIDE, (1R,2S,6R,7S)-4-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)-4-azatricyclo(5.2.1.0^(2,6))decane-3,5-dione, (1R,2S,6R,7S)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione, (1S,2R,6S,7R)-4-(4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl)-4-aza-tricyclo(5.2.1.0*2,6*)decane-3,5-dione, (1S,2R,6S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione, RefChem:187377, 3a,4,7,7a-hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-4,7-methano-1H-isoindole-1,3(2H)-dione, 4,7-Methano-1H-Isoindole-1,3(2h)-Dione, Hexahydro-2-(4-(4-(2-Pyrimidinyl)-1-Piperazinyl)Butyl)-, (3a-Alpha,4Beta,7Beta,7a-Alpha)-, 685-029-2, MFCD00904852, (3aR,4S,7R,7aS)-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, CHEMBL274047, Tandospirone (INN), (1S,2R,6S,7R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione, NCGC00182990-01, TANDOSPIRONE [INN], (3aalpha,4beta,7beta,7aalpha)-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione, (3aR,4S,7R,7aS)-2-{4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, Tandospirone [INN:BAN], UNII-190230I669, Tandospirone (Standard), TANDOSPIRONE [MI], GTPL55, SCHEMBL49026, TANDOSPIRONE [WHO-DD], orb1678989, Tandospirone, >=98% (HPLC), CEIJFEGBUDEYSX-FZDBZEDMSA-N, 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, (3AR,4S,7R,7AS)-REL-, Tox21_113318, AC-754, BDBM50099385, BDBM50368723, HY-14558R, MSK158275, AKOS015966978, CS-1709, DB12833, FT28000, 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aalpha,4beta,7beta,7aalpha)-, AS-77283, HY-14558, CAS-87760-53-0, NS00068624, D08561, SBI-0654213.0001, Q6151362, BRD-K65904673-001-01-4, (3a|_,4|_,7|_,7a|_)-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione, (3aR,4S,7R,7aS)-rel-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione, 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, (3A.ALPHA.,4.BETA.,7.BETA.,7A.ALPHA.)-, 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3a|A,4|A,7|A,7a|A)-, 4,7-Methano-1H-isoindole-1,3(2H)-dione, hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, (3aa,4ss,7ss,7aa)-
Theoretical properties:
molecular_formula: C21H29N5O2
molecular_weight: 383.5 g/mol
exact_mass: 383.23212518 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:
Descriptions:
pubchem: Tandospirone is a dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM). It has a role as an antidepressant and an anxiolytic drug. It is a dicarboximide, a bridged compound, a member of pyrimidines, a N-alkylpiperazine and a N-arylpiperazine. It is a conjugate base of a tandospirone(1+).
chebi: A dicarboximide that is (3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-hexahydro-1<em>H</em>-4,7-methanoisoindole-1,3(2<em>H</em>)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT<small><sub>1A</sub></small> receptor partial agonist (Ki = 27 nM).
chembl: TANDOSPIRONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Tandospirone, sold under the brand name Sediel, is an anxiolytic and antidepressant medication used in Japan and China, where it is marketed by Dainippon Sumitomo Pharma. It is a member of the azapirone class of drugs and is closely related to other azapirones like buspirone and gepirone.
Tandospirone was introduced for medical use in Japan in 1996 and in China in 2004.