Etoricoxib
CAS Number: 202409-33-4
Molecular Mass: 358.8 g/mol
Formula: C18H15ClN2O2S
Smiles: Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
Synonymes:
Etoricoxib, 202409-33-4, Arcoxia, MK-0663, 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine, 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine, L-791456, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine, etoricoxibum, MK0663, DTXSID3046457, 2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-, WRX4NFY03R, L791456, 5-Chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine, 2,3'-Bipyridine, 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-, CHEBI:6339, DTXCID1026457, 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl, 5-chloro-3-(4-methanesulfonylphenyl)-2-(6-methylpyridin-3-yl)pyridine, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-(2,3')bipyridinyl, RefChem:388965, L 791456, M01AH05, 5-Chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl) Pyridine, Tauxib, Nucoxia, Algix, MK-663, MK 0663, MFCD06797512, CHEMBL416146, C18H15ClN2O2S, Etropain, Torcoxia, Etoxib, NCGC00164578-01, Etoricoxibe, Kingcox, MK-0663, L-791456, Etoricoxib [USAN:INN:BAN], 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)-phenyl)-2,3'-bipyridine, MK 663, Etoricoxib [USAN], CAS-202409-33-4, SR-05000001486, Etoricoxib (USAN/INN), UNII-WRX4NFY03R, Etoricoxib?, Etoricoxib (Standard), ETORICOXIB [MI], ETORICOXIB [INN], ETORICOXIB [MART.], SCHEMBL4680, ETORICOXIB [WHO-DD], Etoricoxib - Bio-X trade mark, GTPL2896, orb1308128, orb3025561, SCHEMBL29366203, SCHEMBL29402456, SCHEMBL30988052, MSK8006, GLXC-08166, HMS2090A05, HMS3713P20, HMS3885H14, HMS5083M08, 5-chloro-3-(4-methanesulfonylphenyl)-6'-methyl-2,3'-bipyridine, EX-A2642, Tox21 112206, Tox21_112206, 5-chloro-2-(6-methyl-3-pyridyl)-3-(4-methylsulfonylphenyl)pyridine, BDBM50072064, EBC-00675, Etoricoxib, MK-663, MK-0663, HY-15321R, MSK8006-100A, s4651, AKOS016010125, Tox21_112206_1, CCG-220639, DB01628, FC23204, SB18988, NCGC00164578-02, 5CH, AC-29052, AS-17761, BC164436, HY-15321, SY111379, DB-045133, NS00005633, D03710, Etoricoxib Solution in Acetonitrile, 100ug/mL, Etoricoxib, VETRANAL(TM), analytical standard, AB01275483-01, EN300-18530864, L001141, Q631202, SR-05000001486-1, SR-05000001486-2, BRD-K54770957-001-01-9, BRD-K54770957-001-02-7, BRD-K54770957-001-04-3, F2173-0490, Z2216907255, Etoricoxib, United States Pharmacopeia (USP) Reference Standard, 5-Chloro-3-[4-(methanesulfonyl)phenyl]-6'-methyl-2,3'-bipyridine, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6''''-methyl-[2,3'''']bipyridinyl, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl, 5-chloro-6''-methyl-3-[4-(methylsulfonyl)phenyl]-2,3''-bipyridine, 5-Chloro-6 inverted exclamation mark -methyl-3-[4-(methylsulfonyl)phenyl]-2,3 inverted exclamation mark -bipyridine
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Methanol | 298.2 | - | 346.4 | [440] |
| Propylene Glycol | 298.2 | - | 313.4 | [440] |
| Water | 298.2 | - | 0.3134 | [440] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2249.4158 |
| PMI2 | 3825.9683 |
| PMI3 | 5715.0656 |
| NPR1 | 0.3936 |
| NPR2 | 0.6695 |
| RadiusOfGyration | 4.0532 |
| InertialShapeFactor | 0.0003 |
| Eccentricity | 0.9193 |
| Asphericity | 0.2599 |
| SpherocityIndex | 0.1856 |
| PBF | 0.7628 |