Compound: 51146-56-6
SMILES: O=C(O)[C@H](c1ccc(CC(C)C)cc1)C
InChIKey: HEFNNWSXXWATRW-JTQLQIEISA-N
Synonyms: 51146-56-6, DEXIBUPROFEN, Dexibuprofene, Dexibuprofeno, Seractil, d-Ibuproten, (+)-(S)-p-Isobutylhydratropic acid, Dexibuprofenum, s-ibuprofen, (2S)-2-(4-isobutylphenyl)propanoic acid, (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid, (+)-Ibuprofen, NSC-759814, 671DKG7P5S, DTXSID9048724, (S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid, DTXCID6028650, CHEBI:43415, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (S)-, (2S)-2-(4-(2-methylpropyl)phenyl)propanoic acid, RefChem:585862, M01AE14, (S)-(+)-Ibuprofen, S(+)-Ibuprofen, (S)-2-(4-Isobutylphenyl)propanoic acid, (S)-(+)-2-(4-Isobutylphenyl)propionic acid, S-(+)-ibuprofen, MFCD00069289, Dexibuprofen (free acid), (S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid, CHEMBL175, (S)-2-(4-Isobutylphenyl)propionic acid, NCGC00016861-05, (S)-2-(4-isobutyl-phenyl)-propionic acid, CAS-51146-56-6, S-(+)-2-(4-Isobutylphenyl)propionic acid, (s)-(+)-4-isobutyl-a-methylphenylacetic acid, SMR000326688, (+)-(S)-Ibuprofen, Dexibuprofene [INN-French], Dexibuprofenum [INN-Latin], UNII-671DKG7P5S, Dexibuprofeno [INN-Spanish], Atriscal, Dolomin, DexOptifen, d-Ibuprofen, Maxibufen Syr, Dexibuprofen [USAN:INN:BAN], Maxibufen ER, ibuprofen-(S), (+)-Ibuprophen, 51146-56-6 (free acid), (s)(+)ibuprofen, S (+) Ibuprofen, (s)(+) ibuprofen, (S)-2-(p-Isobutylphenyl)propionic acid, (S)-(-)-Ibuprofen, Lopac-I-106, Prestwick0_000907, Prestwick1_000907, Prestwick2_000907, Prestwick3_000907, Lopac-I-4883, Dexibuprofen (USAN/INN), DEXIBUPROFEN [INN], DEXIBUPROFEN [USAN], Lopac0_000654, SCHEMBL43531, BSPBio_000754, DEXIBUPROFEN [MART.], MLS001066327, MLS001335879, MLS001335880, DEXIBUPROFEN [WHO-DD], SPBio_002953, BPBio1_000830, orb1310605, SCHEMBL30091137, (S)-(+)-Ibuprofen (Standard), HMS1570F16, HMS2097F16, HMS2231C07, HMS3262C09, HMS3714F16, HY-78131AR, Pharmakon1600-01502363, Tox21_113141, Tox21_500654, BDBM50169047, EBC-04181, HY-78131A, NSC759814, AKOS015890528, AKOS015994628, CCG-204740, CS-1393, DB09213, FI24528, HS-0088, LP00654, MSK156869-100M, NSC 759814, SDCCGSBI-0050633.P002, NCGC00015529-01, NCGC00015529-02, NCGC00015529-03, NCGC00015529-11, NCGC00016861-01, NCGC00016861-02, NCGC00016861-03, NCGC00016861-06, NCGC00016861-13, NCGC00094017-01, NCGC00094017-02, NCGC00094017-04, NCGC00261339-01, SY046826, UNM-0000306099, AB00513957, EU-0100654, I-106, I0549, NS00098758, T0448, (S)-(+)-Ibuprofen, ReagentPlus(R), 99%, (s)-(+)-2-(4-isobutylphenyl) propionic acid, D03715, EN300-180104, O10202, AB00513957_07, F079519, Q420051, SR-01000075945, SR-01000761395, (2S)-2-[4-(2-Methylpropyl)phenyl]propionic acid, SR-01000075945-1, SR-01000761395-2, (S)-(+)-Ibuprofen Solution in Methanol, 100ug/mL, BRD-K14965640-001-03-3, BRD-K14965640-001-12-4, (+)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, Z1508914616, (alphaS)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaS)-, BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, (S)-, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaS)- (9CI)
Theoretical properties:
molecular_formula: C13H18O2
molecular_weight: 206.28 g/mol
exact_mass: 206.130679813 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 49-53
solubility: Insoluble
Descriptions:
pubchem: Dexibuprofen is an ibuprofen. It has a role as a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is an enantiomer of a levibuprofen.
chembl: DEXIBUPROFEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Dexibuprofen is a nonsteroidal anti-inflammatory drug (NSAID). It is the active dextrorotatory enantiomer of ibuprofen. Most ibuprofen formulations, as well as other drugs of the profen drug class, contain a racemic mixture of both isomers.
Dexibuprofen is a chiral switch of racemic ibuprofen. The chiral carbon in dexibuprofen is assigned an absolute configuration of (S) per the Cahn–Ingold–Prelog rules. Dexibuprofen is also called (S)-(+)-ibuprofen. 
Ibuprofen is an α-arylpropionic acid used largely in the treatment of rheumatoid arthritis and widely used over-the counter drug for headache and minor pains. This drug has a chiral center and exists as a pair of enantiomers. (S)-Ibuprofen, the eutomer, is responsible for the desired therapeutic effect. The inactive (R)-enantiomer, the distomer, undergoes a unidirectional chiral inversion to give the active (S)-enantiomer, the former acting as a prodrug for the latter. That is, when the ibuprofen is administered as a racemate the distomer is converted in vivo into the eutomer while the latter is unaffected.