Dexibuprofen
CAS Number: 51146-56-6
Molecular Mass: 206.28 g/mol
Formula: C13H18O2
Smiles: CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
Synonymes:
Dexibuprofen, 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)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 263.15 | - | 373.4 | [397] |
| 1-Propanol | 268.15 | - | 418.2 | [397] |
| 1-Propanol | 273.15 | - | 450.7 | [397] |
| 1-Propanol | 278.15 | - | 475.8 | [397] |
| 1-Propanol | 283.15 | - | 523.3 | [397] |
| 1-Propanol | 288.15 | - | 544.5 | [397] |
| 1-Propanol | 293.15 | - | 574.5 | [397] |
| Ethanol | 263.15 | - | 518.0 | [397] |
| Ethanol | 268.15 | - | 536.6 | [397] |
| Ethanol | 273.15 | - | 583.9 | [397] |
| Ethanol | 278.15 | - | 587.0 | [397] |
| Ethanol | 283.15 | - | 650.6 | [397] |
| Ethanol | 288.15 | - | 687.7 | [397] |
| Ethanol | 293.15 | - | 719.5 | [397] |
| Ethyl acetate | 263.15 | - | 389.5 | [397] |
| Ethyl acetate | 268.15 | - | 442.5 | [397] |
| Ethyl acetate | 273.15 | - | 502.5 | [397] |
| Ethyl acetate | 278.15 | - | 542.3 | [397] |
| Ethyl acetate | 283.15 | - | 603.5 | [397] |
| Ethyl acetate | 288.15 | - | 669.8 | [397] |
| Ethyl acetate | 293.15 | - | 684.9 | [397] |
| Hexane | 263.15 | - | 51.39 | [397] |
| Hexane | 268.15 | - | 69.13 | [397] |
| Hexane | 273.15 | - | 93.88 | [397] |
| Hexane | 278.15 | - | 140.7 | [397] |
| Hexane | 283.15 | - | 209.7 | [397] |
| Hexane | 288.15 | - | 292.8 | [397] |
| Hexane | 293.15 | - | 420.6 | [397] |
| Isopropanol | 263.15 | - | 408.6 | [397] |
| Isopropanol | 268.15 | - | 466.6 | [397] |
| Isopropanol | 273.15 | - | 517.6 | [397] |
| Isopropanol | 278.15 | - | 559.1 | [397] |
| Isopropanol | 283.15 | - | 638.3 | [397] |
| Isopropanol | 288.15 | - | 683.0 | [397] |
| Isopropanol | 293.15 | - | 711.6 | [397] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 322.8477 |
| PMI2 | 2132.8262 |
| PMI3 | 2139.7193 |
| NPR1 | 0.1509 |
| NPR2 | 0.9968 |
| RadiusOfGyration | 3.3374 |
| InertialShapeFactor | 0.0031 |
| Eccentricity | 0.9886 |
| Asphericity | 0.6229 |
| SpherocityIndex | 0.2657 |
| PBF | 0.9280 |