Compound: Secnidazole
SMILES: O=[N+]([O-])c1n(c(C)nc1)CC(O)C
InChIKey: KPQZUUQMTUIKBP-UHFFFAOYSA-N
Synonyms: Secnidazole, 3366-95-8, Secnidazol, Flagentyl, 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol, Secnidazolum, Solosec, Secnidal, SYM-1219, RP 14539, 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol, Secnidazole anhydrous, Ornidazole metabolite m4, RP-14539, PM-185184, NSC-759812, DTXSID3045934, CHEBI:140628, R3459K699K, DTXCID1025934, Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-, Deprozol, RefChem:56001, P01AB07, 1-(2'-hydroxypropyl)-2-methyl-5-nitroimidazole, 222-134-0, Secnidazolum [INN-Latin], Secnidazole (Flagentyl), PM 185184, 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol, MFCD00864656, 1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol, 1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-, MLS000559043, 1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol, NCGC00095158-01, SMR000149359, RP-14539;PM-185184, Secnidazol [INN-Spanish], CAS-3366-95-8, alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol, SR-01000685111, EINECS 222-134-0, Sindose, Secnil, Flagentyl;, Daksol;, Famide;, UNII-R3459K699K, 1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol, Apex;, Flow;, Secnidal (TN), Secnidazole [USAN:INN:BAN:DCF], SYM 1219, Solosec (TN), Ornidazole Impurity D, Secnidazole (Standard), 14,539 RP, Secnidazole 100 microg/mL in Acetonitrile, SECNIDAZOLE [MI], Opera_ID_1811, Spectrum2_000033, Spectrum3_001956, SECNIDAZOLE [INN], alpha,2-Dimethyl-5-nitroimidazole-1-ethanol, Secnidazole (USAN/INN), SECNIDAZOLE [USAN], Epitope ID:766965, SECNIDAZOLE [MART.], BSPBio_003556, SECNIDAZOLE [WHO-DD], MLS000759496, MLS001201813, MLS001424126, MLS006011434, SCHEMBL363924, SPECTRUM1505304, SPBio_000125, 1H-Imidazole-1-ethanol, .alpha.,2-dimethyl-5-nitro-, CHEMBL498847, orb1310847, SCHEMBL28807487, CHEBI:94433, GTPL12925, HY-B1118R, KBio3_002874, MSK5570, SECNIDAZOLE [ORANGE BOOK], KPQZUUQMTUIKBP-UHFFFAOYSA-N, GLXC-21463, HMS1922B12, HMS2051C20, HMS2090N15, HMS2231G11, HMS3369N08, HMS3393C20, HMS3656G14, HMS3714I05, HMS5081M19, Pharmakon1600-01505304, HY-B1118, Tox21_111457, BBL010784, BDBM50349330, CCG-39993, EBC-03424, EBC-26161, MSK5570-100M, NSC759812, STK590474, AKOS005512552, AKOS025149490, Tox21_111457_1, CCG-100896, CS-4641, DB12834, FS27807, KS-1191, NC00146, NSC 759812, SB19197, NCGC00095158-02, NCGC00095158-03, NCGC00095158-04, NCGC00095158-05, NCGC00095158-08, AC-12065, SBI-0207037.P001, DB-000688, NS00001886, S2537, Secnidazole Solution in Methanol, 100ug/mL, SW197526-3, a,2-dimethyl-5-nitro-1H-imidazole-1-ethanol, D07353, 1-(2- hydroxypropyl)-2-methyl-5-nitroimidazole, AB00456738-13, AB00456738-15, AB00456738_16, AB00456738_17, EN300-1721671, 1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol, F386728, Q4413249, SR-01000685111-4, SR-01000685111-6, SR-01000685111-7, .ALPHA.,2-DIMETHYL-5-NITROIMIDAZOLE-1-ETHANOL, BRD-A70083328-001-02-9, BRD-A70083328-001-12-8, BRD-A70083328-001-22-7, BRD-A70083328-001-23-5, BRD-A70083328-001-24-3, 1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2- ol, 1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2-ol,, Z1198155412
Theoretical properties:
molecular_formula: C7H11N3O3
molecular_weight: 185.18 g/mol
exact_mass: 185.08004122 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 13
topological_polar_surface_area: 83.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: >27.8 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: Secnidazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis. It has a role as an antibacterial agent, an antiprotozoal drug and an epitope. It is a member of imidazoles, a secondary alcohol and a C-nitro compound.
chebi: A <em>C</em>-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by <em>Trichomonas vaginalis</em>.
chembl: SECNIDAZOLE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Secnidazole (trade names Flagentyl, Sindose, Secnil, Solosec) is a nitroimidazole anti-infective used to treat bacterial vaginosis and trichomoniasis. It is taken orally.
Structurally it actually methyl-metronidazole. Effectiveness in the treatment of dientamoebiasis has been reported. It has also been tested against Atopobium vaginae.
In the United States, secnidazole is FDA-approved for the treatment of bacterial vaginosis and trichomoniasis in adult women. It was approved in the United States in 2017.