Basic information
- CAS
81043-56-3- Standard SMILES
Cc1ccc2nc(C)c(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c(=O)n2c1- InChIKey
AXQRPYKSPHUOGZ-UHFFFAOYSA-N- Molecular formula
- C24H26FN3O2
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.20090524
Overview
Metrenperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Metrenperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Metrenperone has a monoisotopic molecular weight of 407.2 Da.
Names & identifiers
- Preferred name
- 3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
- IUPAC
- 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
- English name
- 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
- Molecular formula
- C24H26FN3O2
- Molecular weight
- 407.4805432
Names & synonyms
Metrenperone81043-56-3MetrenperonaMetrenperonumR 50 970W1O4FV809GDTXSID20230867R-50970R-50 9703-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-oneRefChem:910900
Show more names
3-[2-[4-(4-Fluorobenzoyl)piperidino]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one4H-Pyrido[1,2-a]pyriMidin-4-one, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,7-diMethyl-
DTXCID501533583-(2-(4-(fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-oneR 509703-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one3-[2-[4-(4-Fluorobenzoyl)-1-piperidyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-oneSinomedol3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 825
Physicochemical properties
- Melting point
- 176 °C · 176 °C
- Boiling point
- 561.5 · 561.5±60.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- pka
- 7.91 · 7.91±0.10(Predicted)
- form
- Solid
- color
- White to Light Brown
- FDA UNII
- 1 O4FV809G · W1O4FV809G
Chemistry & industry
Applications
UsesA selective type 2 serotonergic (5-HT2) antagonist. Metrenperone is administered to treat respiratory distress syndrome in cattle.
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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