Diclofenac
CAS Number: 15307-86-5
Molecular Mass: 296.1 g/mol
Formula: C14H11Cl2NO2
Smiles: O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Synonymes:
Diclofenac, diclofenac, 15307-86-5, Diclofenac acid, 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid, Diclofenaco, Diclophenac, Diclofenac free acid, Diclofenacum, Zorvolex, Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid, Allvoran, CHEBI:47381, Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, [2-(2,6-Dichloroanilino)phenyl]acetic acid, 144O8QL0L1, Voltaren ophthalmic, LAS41007, LAS-41007, {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid, DTXSID6022923, (2-((2,6-DICHLOROPHENYL)AMINO)PHENYL)ACETIC ACID, Dicrofenac, (2-(2,6-dichloroanilino)phenyl)acetic acid, 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid, Xiclo, Zorvolex capsules, Voltaren XR, RefChem:6419, DTXCID802923, SR38, M01AB05, M02AA15, S01BC03, GP45,840, GP 45,840, 239-348-5, Dichlofenal, dichlofenac, 2-(2,6-Dichloroanilino)phenylacetic Acid, 2-[2-(2,6-dichloroanilino)phenyl]acetic acid, Voltarol, MFCD00056694, 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid, 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid, 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid, CHEMBL139, ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)-, ProSorb-D, Olfen, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Solaraze (TN), Diclofenamic acid, Diclofenac resinate, Enfenamic acid, N-Phenethylanthranilic acid, RH 8, Zorovolex, 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac), Diclofenacum [INN-Latin], Diclofenaco [INN-Spanish], DIF, HSDB 7234, EINECS 239-348-5, (2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD), BRN 2146636, Diclofenac [USAN:INN:BAN], UNII-144O8QL0L1, ISV-205, Zorvolex (TN), 15307-86-5 (free), 57 - Pharmaceuticals, Spectrum_000930, DICLOFENAC [MI], S17 - Pharmaceuticals, DICLOFENAC [INN], 128402-48-2, Diclofenac (USAN/INN), Prestwick0_000594, Prestwick1_000594, Prestwick2_000594, Prestwick3_000594, Spectrum2_000991, Spectrum3_000385, Spectrum4_000506, Spectrum5_000867, DICLOFENAC [HSDB], DICLOFENAC [USAN], DICLOFENAC [VANDF], Epitope ID:116873, EC 239-348-5, AM01 - Analgesic mixture, DICLOFENAC [MART.], SCHEMBL2799, DICLOFENAC [WHO-DD], Lopac0_000441, Oprea1_011155, BSPBio_000468, BSPBio_002169, KBioGR_001051, KBioGR_002306, KBioSS_001410, KBioSS_002308, MLS006011795, BIDD:GT0380, DivK1c_000272, DivK1c_000402, SPBio_001081, SPBio_002687, BPBio1_000516, GTPL2714, orb1310846, orb3025678, SCHEMBL4960317, DICLOFENAC [ORANGE BOOK], SCHEMBL29354260, BDBM13066, HMS501E04, KBio1_000272, KBio1_000402, KBio2_001410, KBio2_002306, KBio2_003978, KBio2_004874, KBio2_006546, KBio2_007442, KBio3_001389, KBio3_002786, MSK7161, 2b17, cMAP_000014, NINDS_000272, NINDS_000402, HMS2090C10, HMS3886F09, HMS5085I06, EBC-03832, MSK7161-100A, s6073, STK984493, AKOS001579542, MSK7161-1000A, DB00586, FD30611, KS-1258, IDI1_000272, IDI1_000402, NCGC00021125-01, NCGC00021125-02, NCGC00021125-11, AC-27673, DA-72738, HY-15036, o-(2,6-dichloroanilino)phenylacetic acid, SMR001550371, SY038623, SBI-0051341.P003, Diclofenac 1000 microg/mL in Acetonitrile, ACECLOFENAC IMPURITY A [EP IMPURITY], D3748, NS00000212, ST51039044, UNM000001216103, [2-(2,6-Dichloroanilino)phenyl]acetic acid #, C01690, D07816, EN300-119509, H10425, [o-(2,6-dichloro-anilino)-phenyl]-acetic acid, 2-[(2,6-dichlorophenyl)amino]phenylacetic acid, AB01275502-01, AB01275502_02, 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid, F224122, Q244408, (O-(2,6-DICHLOROANILINO)PHENYL)ACETIC ACID, [2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid, 2-[(2,6-dichlorophenyl)-amino]-benzeneacetic acid, 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetic acid, 2-[2-(2,6-dichlorophenylamino)phenyl]-acetic acid, Diclofenac acid Solution in Acetonitrile, 100ug/mL, SR-01000003041-3, 2-[2-(2,6-dichlorophenylamino)-phenyl]-acetic acid, BRD-K08252256-224-02-9, BRD-K08252256-236-05-6, BRD-K08252256-236-17-1, BRD-K08252256-236-32-0, BRD-K08252256-236-33-8, BRD-K08252256-237-02-1, Diclofenac acid Solution in Acetonitrile, 1000ug/mL, Z57664869, F0722-0745
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetone | 298.15 | - | 109.8 | [228] |
| Acetonitrile | 298.15 | - | 13.99 | [228] |
| Carbon tetrachloride | 298.15 | - | 1.804 | [228] |
| Chlorobenzene | 298.15 | - | 7.494 | [228] |
| Chloroform | 298.15 | - | 22.5 | [228] |
| Ethanol | 298.15 | - | 50.17 | [228] |
| Hexane | 298.15 | - | 0.0243 | [228] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1279.2137 |
| PMI2 | 2028.2755 |
| PMI3 | 2574.6058 |
| NPR1 | 0.4969 |
| NPR2 | 0.7878 |
| RadiusOfGyration | 3.1513 |
| InertialShapeFactor | 0.0006 |
| Eccentricity | 0.8678 |
| Asphericity | 0.1467 |
| SpherocityIndex | 0.2605 |
| PBF | 0.8109 |