Basic information
- CAS
87691-91-6- Standard SMILES
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1- InChIKey
ZFZPJDFBJFHYIV-UHFFFAOYSA-N- Molecular formula
- C24H32N4O2S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.22459726
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Tiospirone
- IUPAC
- 8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
- English name
- Tiospirone
- Molecular formula
- C24H32N4O2S
- Molecular weight
- 440.6
Names & synonyms
TIOSPIRONE87691-91-6TiospironaTiospironum35C6UMO5SRBMY-138598-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dionetiaspironeDTXSID902365588-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione8-(4-(4-(1,2-benzothiazol-3-yl)piperazin-1-yl)butyl)-8-azaspiro(4.5)decane-7,9-dioneRefChem:190093
Show more names
MJ-13859Unii-35C6umo5srTiospirona [spanish]Tiospirone, 10 mM in DMSO
MJ-13859-1DTXCID201590498-(4-(4-Benzo(d)isothiazol-3-yl-piperazin-1-yl)-butoxy)-8-aza-spiro(4.5)decane-7,9-dioneTiospirone [INN]CHEMBL350578-[4-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dioneMJ 13859; NIH 10766Tiospironum [Latin]
Database identifiers
- CAS
87691-91-6- PubChem CID
- 55752
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- form
- Solid
- color
- White to off-white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 35 C6UMO5SR · 35C6UMO5SR
Chemistry & industry
Applications
UsesTiospirone is a 5-HT2 receptor antagonist with affinity for D2, 5-HT1a, and 5-HT7, and sigma receptors. Tiospirone decreases consumption of ethanol while increasing food intake of rats. Tiospirone can also reduce the reinforcing properties of Cocaine exhibited in the conditioned place preference paradigm[1][2].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
1 records
Compound notes
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