Diclofenac
PubChem CID: 3033
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| Compound Synonyms | diclofenac, 15307-86-5, Diclofenac acid, dichlofenac, Diclofenaco, Diclophenac, Diclofenacum, 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid, ProSorb-D, Diclofenac free acid, 2-(2,6-Dichloroanilino)phenylacetic Acid, Diclofenac resinate, Voltarol, Zorovolex, Zorvolex, Diclofenamic acid, 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid, Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-[2-(2,6-dichloroanilino)phenyl]acetic acid, 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid, CHEBI:47381, HSDB 7234, Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, EINECS 239-348-5, Solaraze, UNII-144O8QL0L1, BRN 2146636, 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid, Voltaren-XR, ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)-, 144O8QL0L1, LAS41007, LAS-41007, MFCD00056694, 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid, CHEMBL139, {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, [2-(2,6-Dichloroanilino)phenyl]acetic acid, DTXSID6022923, EC 239-348-5, 15307-86-5 (free), Olfen, Dicrofenac, Solaraze (TN), DICLOFENAC (MART.), DICLOFENAC [MART.], (O-(2,6-DICHLOROANILINO)PHENYL)ACETIC ACID, Enfenamic acid, N-Phenethylanthranilic acid, RH 8, 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid, (2-((2,6-DICHLOROPHENYL)AMINO)PHENYL)ACETIC ACID, 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac), Diclofenacum [INN-Latin], Diclofenaco [INN-Spanish], DIF, (2-(2,6-dichloroanilino)phenyl)acetic acid, ACECLOFENAC IMPURITY A (EP IMPURITY), ACECLOFENAC IMPURITY A [EP IMPURITY], (2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD), Diclofenac [USAN:INN:BAN], ISV-205, Zorvolex (TN), 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, AM01 - Analgesic mixture, 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, DTXCID802923, GTPL2714, DICLOFENAC [ORANGE BOOK], BDBM13066, HMS501E04, KBio1_000272, KBio1_000402, KBio2_001410, KBio2_002306, KBio2_003978, KBio2_004874, KBio2_006546, KBio2_007442, KBio3_001389, KBio3_002786, M01AB05, M02AA15, S01BC03, 2b17, cMAP_000014, NINDS_000272, NINDS_000402, HMS2090C10, HMS3886F09, BCP09087, BCP13860, s6073, STK984493, AKOS001579542, 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, D3748, NS00000212, UNM000001216103, [2-(2,6-Dichloroanilino)phenyl]acetic acid #, C01690, D07816, D30801, EN300-119509, H10425, [o-(2,6-dichloro-anilino)-phenyl]-acetic acid, 2-[(2,6-dichlorophenyl)amino]phenylacetic acid, AB01275502-01, AB01275502_02, 2-(2-(2,6-dichlorophenylamino)phenyl)acetic acid, 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid, Q244408, [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, 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, Z57664869, F0722-0745, 239-348-5 |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(2,6-dichloroanilino)phenyl]acetic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT31, NPT30, NPT604, NPT102, NPT237, NPT109, NPT703, NPT903, NPT702, NPT699, NPT901, NPT665, NPT1270, NPT77, NPT713, NPT346, NPT2818, NPT5976 |
| Xlogp | 4.4 |
| Molecular Formula | C14H11Cl2NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCOPUUMXTXDBNB-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.769 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.716 |
| Compound Name | Diclofenac |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.017 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.017 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.651517021052631 |
| Inchi | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
| Smiles | C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:cmaup_ingredients