Lanperisone
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Basic information
- CAS
116287-14-0- Standard SMILES
C[C@H](CN1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1- InChIKey
RYZCWZZJFAKYHX-LLVKDONJSA-N- Molecular formula
- C15H18F3NO
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.13404868
Overview
Lanperisone is a 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one in which the methyl group at position 2 adopts R-configuration. It is a muscle relaxant and induces ferroptosis in cancer cells. It has a role as a ferroptosis inducer, an antineoplastic agent, a calcium channel blocker, a voltage-gated sodium channel blocker and a muscle relaxant. It is a conjugate base of a lanperisone(1+).
Names & identifiers
- Preferred name
- Lanperisone
- IUPAC
- (2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
- English name
- Lanperisone
- Molecular formula
- C15H18F3NO
- Molecular weight
- 285.307
Names & synonyms
Lanperisone116287-14-0lanperisonaLanperisone [INN]UNII-TO2JP2G53HlanperisonumTO2JP2G53HCHEBI:176339(-)-(R)-2-Methyl-3-(1-pyrrolidinyl)-4'-(trifluoromethyl)propiophenone(2R)-2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone(2R)-2-METHYL-3-(PYRROLIDIN-1-YL)-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-ONE(2R)-2-methyl-3-(1-pyrrolidinyl)-1-(4-(trifluoromethyl)phenyl)-1-propanone
Show more names
1-Propanone, 2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-, (2R)-
(2R)-2-methyl-3-(pyrrolidin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-oneRefChem:152291(2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-oneNCGC00183000-01(R)-2-methyl-3-(pyrrolidin-1-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-oneSCHEMBL570832orb1696620CHEMBL1951050
Database identifiers
- CAS
116287-14-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 360 · 360.0±42.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 9.62 · 9.62±0.20(Predicted)
- FDA UNII
- 2 JP2G53H · TO2JP2G53H
Chemistry & industry
Additional notes
DefinitionChEBI: Lanperisone is a 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one in which the methyl group at position 2 adopts R-configuration. It is a muscle relaxant and induces ferroptosis in cancer cells. It has a role as a muscle relaxant, a ferroptosis inducer, an antineoplastic agent, a voltage-gated sodium channel blocker and a calcium channel blocker. It is a conjugate base of a lanperisone(1+).
Related reactions
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Compound notes
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