Compound: bufexamac
SMILES: O=C(NO)Cc1ccc(OCCCC)cc1
InChIKey: MXJWRABVEGLYDG-UHFFFAOYSA-N
Synonyms: bufexamac, 2438-72-4, 2-(4-Butoxyphenyl)-N-hydroxyacetamide, Bufexamic acid, Parfenac, Anderm, Paraderm, Bufexamaco, 4-Butoxy-N-hydroxybenzeneacetamide, Bufexamacum, p-Butoxyphenylacetohydroxamic acid, 4-Butoxyphenylacetohydroxamic acid, 2-(p-Butoxyphenyl)-acetohydroxamic acid, CP 1044 J3, Acide p-butoxyphenylacethydroxamique, DTXSID7045368, CP-1044-J3, NSC-758153, CHEBI:31317, 4T3C38J78L, DTXCID5025368, Bufexamacratiopharm, Bufexamac ratiopharm, p-Butoxyphenylacethydroxamic Acid, p Butoxyphenylacethydroxamic Acid, RefChem:570466, M01AB17, M02AA09, 219-451-1, Droxaryl, Parfenal, Feximac, Mofenar, Flogicid, Malipuran, Norfemac, Flogocid N plastigel, 2-(p-Butoxyphenyl)acetohydroxamic acid, Benzeneacetamide, 4-butoxy-N-hydroxy-, 2-(4-butoxyphenyl)acetohydroxamic acid, CP 1044, MFCD00078936, ACETOHYDROXAMIC ACID, 2-(p-BUTOXYPHENYL)-, 2-(4-butoxyphenyl)ethanehydroxamic acid, CHEMBL94394, MLS000028409, ML392, s3023, J3, NCGC00016611-01, Droxarol, SMR000058407, CAS-2438-72-4, Bufessamac [DCIT], Bufessamac, Bufexamacum [INN-Latin], Bufexamaco [INN-Spanish], Bufexamac [INN:BAN:DCF:JAN], SR-01000003067, EINECS 219-451-1, BRN 2646848, UNII-4T3C38J78L, Acide p-butoxyphenylacethydroxamique [French], Bufexamac CRS, Prestwick_676, Anderm (TN), Bufexamac (Standard), Spectrum_001754, Bufexamac (JAN/INN), BUFEXAMAC [INN], BUFEXAMAC [JAN], Opera_ID_1503, Prestwick0_000243, Prestwick1_000243, Prestwick2_000243, Prestwick3_000243, Spectrum2_001457, Spectrum3_000938, Spectrum4_001037, Spectrum5_001117, BUFEXAMAC [MART.], Epitope ID:180855, BUFEXAMAC [WHO-DD], cid_2466, REGID_for_CID_2466, SCHEMBL25215, BSPBio_000026, KBioGR_001593, KBioSS_002234, MLS001148632, Bufexamac, analytical standard, DivK1c_000108, SPECTRUM1502003, SPBio_001353, SPBio_002245, BPBio1_000030, GTPL7498, orb1310218, orb3025831, BUFEXAMAC [EP IMPURITY], BUFEXAMAC [EP MONOGRAPH], SCHEMBL21409744, HMS500F10, HY-B0494R, KBio1_000108, KBio2_002234, KBio2_004802, KBio2_007370, KBio3_001976, NINDS_000108, GLXC-05312, HMS1568B08, HMS1921B18, HMS2095B08, HMS2235I13, HMS3371K16, HMS3656H16, HMS3712B08, HMS3885K03, HMS5081G06, KUC105648N, Pharmakon1600-01502003, HY-B0494, MSK11363, Para-butoxyphenylacetohydroxamic acid, Tox21_110522, BDBM50015144, CCG-39191, EBC-26236, NSC758153, SBB056991, Bufexamac 1.0 mg/ml in Acetonitrile, AKOS015895401, KUC105648N-02, KUC105648N-03, Tox21_110522_1, DB13346, KSC-10-210, NSC 758153, IDI1_000108, KSC-390-003, NCGC00016611-02, NCGC00016611-03, NCGC00016611-04, NCGC00016611-05, NCGC00016611-06, NCGC00016611-07, NCGC00016611-09, NCGC00016611-10, NCGC00021813-03, NCGC00021813-04, 2-(4-Butoxy-phenyl)-N-hydroxy-acetamide, 2-(4-Butoxyphenyl)-N-hydroxyacetamide #, AC-18729, AS-12207, SY040652, KSC-285-073-1, SBI-0051694.P002, AB00052252, B4179, NS00000614, ST50993888, SW196831-3, C74254, D01271, AB00052252_19, AB00052252_20, EN300-11686917, F318152, Q412699, SR-01000003067-3, SR-01000003067-4, BRD-K36660044-001-15-0, BRD-K36660044-001-23-4, BRD-K36660044-001-24-2, Bufexamac, European Pharmacopoeia (EP) Reference Standard, A4Z
Theoretical properties:
molecular_formula: C12H17NO3
molecular_weight: 223.27 g/mol
exact_mass: 223.12084340 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 16
topological_polar_surface_area: 58.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Immiscible
Descriptions:
pubchem: Bufexamac is a hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an antipyretic. It is a hydroxamic acid and an aromatic ether.
chebi: A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.
chembl: BUFEXAMAC is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Bufexamac is a drug used as an anti-inflammatory agent on the skin, as well as rectally. Common brand names include Paraderm and Parfenac. It was withdrawn in Europe and Australia because of allergic reactions.