Basic information
- CAS
102908-59-8- Standard SMILES
O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1- InChIKey
BVMYCHKQPGEOSI-UHFFFAOYSA-N- Molecular formula
- C20H26N2O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.18925731
Overview
8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione is an azaspiro compound.
Names & identifiers
- Preferred name
- Binospirone
- IUPAC
- 8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
- English name
- Binospirone
- Molecular formula
- C20H26N2O4
- Molecular weight
- 358.43
Names & synonyms
Binospirone102908-59-8binospironaT3M5D109V5DTXSID508612848-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dionebinospironum8-(2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl)-8-azaspiro(4.5)decane-7,9-dioneRefChem:119838DTXCID30197275Binospirone [INN]UNII-T3M5D109V5
Show more names
MDL 73005EFBinospirone, 10 mM in DMSO8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]ethyl]-
8-(2-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)ethyl)-8-azaspiro[4.5]decane-7,9-dioneNCGC00024574-02Biomol-NT_000113SCHEMBL244369BPBio1_000045orb2276851CHEMBL1487115SCHEMBL29822565
Database identifiers
- CAS
102908-59-8- PubChem CID
- 60769
- DTXSID
DTXSID50861284- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Melting point
- 177 °C · 177 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 553.6 · 553.6±43.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 8.03 · 8.03±0.20(Predicted)
- FDA UNII
- 3 M5D109V5 · T3M5D109V5
Chemistry & industry
Applications
UsesBinospirone is a 5-HT1A Receptor agonist. Binospirone has anxiolytic activity. Binospirone can be used in the study of movement disorders[1].
Suppliers6 total
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海德轩医药科技有限公司[email protected] · [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]
Additional notes
DefinitionChEBI: 8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione is an azaspiro compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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