Products 87760-53-0

CAS 87760-53-0 appears in our catalog under these names: Tandospirone, Tandospirone, >95% (HPLC), Tandospirone hydrochloride, Tandospirone, 99.41%, (3aα,4β,7β,7aα)-Hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione, 97%, 97%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 25mg, 50mg, 5mg, 10mg, 100mg, 10mM (in 1ml dmso), 2mg.

Structural formula: {0} (CAS {1})

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+).

Source: ChEBI

Identity
Molecular formulaC21H29N5O2
Molecular weight383.5 g/mol
IUPAC name(1S,2R,6S,7R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
InChIKeyCEIJFEGBUDEYSX-FZDBZEDMSA-N
SMILESC1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5

Computed by PubChem (NCBI)