Basic information
- CAS
62030-88-0- Standard SMILES
O=C(c1ccc(F)cc1)C1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1- InChIKey
XMUZRUCADGTCPX-UHFFFAOYSA-N- Molecular formula
- C28H26F4N2OS
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.17019728
Overview
Duoperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Duoperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Duoperone has a monoisotopic molecular weight of 514.17 Da.
Names & identifiers
- Preferred name
- Duoperone
- IUPAC
- (4-fluorophenyl)-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]methanone
- English name
- Duoperone
- Molecular formula
- C28H26F4N2OS
- Molecular weight
- 514.584
Names & synonyms
Duoperone62030-88-0DuoperonaDuoperonumE84FJ4KW3B(4-fluorophenyl)(1-(3-(2-(trifluoromethyl)-10H-phenothiazine-10-yl)propyl)-4-piperidinyl)methanoneRefChem:135997Duoperone [INN](4-fluorophenyl)-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]methanoneDuoperonum [Latin]Duoperona [Spanish]UNII-E84FJ4KW3B
Show more names
Duoperone, 10 mM in DMSOMethanone, (4-fluorophenyl)[1-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]-
Duoperone?orb1709818SCHEMBL2109141CHEMBL2110736SCHEMBL29694381DTXSID20866903XMUZRUCADGTCPX-UHFFFAOYSA-NMCA03088
Database identifiers
- CAS
62030-88-0- PubChem CID
- 43876
- DTXSID
DTXSID20866903- ChEMBL
CHEMBL2110736
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 613.5 · 613.5±55.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8.12 · 8.12±0.10(Predicted)
- FDA UNII
- 84 FJ4KW3B · E84FJ4KW3B
Chemistry & industry
Applications
UsesNeuroleptic.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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