Basic information
- CAS
101389-86-0- Standard SMILES
Fc1cccc2c1O[C@H]1CNC[C@@H]1O2- InChIKey
XSOUHEXVEOQRKJ-IUCAKERBSA-N- Molecular formula
- C10H10FNO2
- Average molar mass
- 195.19 g/mol
- Monoisotopic mass
- 195.06955672
Overview
Fluparoxan is a small molecule drug. The usage of the INN stem '-oxan(e)' in the name indicates that Fluparoxan is a benzodioxane derivative. Fluparoxan has a monoisotopic molecular weight of 195.07 Da.
Names & identifiers
- Preferred name
- Fluparoxan
- IUPAC
- (3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
- English name
- Fluparoxan
- Molecular formula
- C10H10FNO2
- Molecular weight
- 195.1903032
Names & synonyms
Fluparoxan105182-45-4Fluparoxanum(-)-fluparoxanFluparoxan, (-)-(3as,9as)-fluparoxanWGA8E072GXGR 50360ADTXSID80146995(3aS,9aS)-8-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole1H-(1,4)Benzodioxino(2,3-c)pyrrole, 5-fluoro-2,3,3a,9a-tetrahydro-, (3aS,9aS)-1H-(1,4)Benzodioxino(2,3-c)pyrrole, 5-fluoro-2,3,3a,9a-tetrahydro-, (3aS-trans)-
Show more names
5-Fluoro-2,3,3aβ,9aα-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
(3aS,9aS)-8-fluoro-2,3,3a,9a-tetrahydro-1H-(1,4)benzodioxino(2,3-c)pyrroleGR-50360AGR-50360RefChem:921722DTXCID8069486(3as,9as)-5-fluoro-2,3,3a,9a-tetrahydro-1h-[1,4]benzodioxino[2,3-c]pyrrole(+/-)-FluparoxanFluparoxan, (+/-)-
Database identifiers
- CAS
101389-86-0、105182-45-4- PubChem CID
- 72036
- DTXSID
DTXSID80146995- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- form
- Solid
- color
- White to off-white
- FDA UNII
- 8 E072GX · WGA8E072GX
Chemistry & industry
Applications
UsesAntidepressant.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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