Compound: BENZNIDAZOLE
SMILES: O=[N+]([O-])c1nccn1CC(=O)NCc2ccccc2
InChIKey: CULUWZNBISUWAS-UHFFFAOYSA-N
Synonyms: BENZNIDAZOLE, 22994-85-0, Benznidazol, Radanil, Benzonidazole, Rochagan, benzonidazol, Benznidazolum, N-benzyl-2-(2-nitroimidazol-1-yl)acetamide, 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-, Ro 07-1051, N-Benzyl-2-nitroimidazole-1-acetamide, 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide, N-Benzyl-2-nitroimidazol-1-yl-acetamide, Imidazole-1-acetamide, N-benzyl-2-nitro-, YC42NRJ1ZD, N-benzyl-2-nitro-1-imidazoleacetamide, NSC-299972, Ro-7-1051, DTXSID9046570, RO-07-1051, NSC299972, DTXCID7026570, CHEBI:133833, RefChem:58523, P01CA02, N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide, N-Benzyl-2-nitro-1H-imidazole-1-acetamide, MFCD00243089, CHEMBL110, MMV688773, NCGC00166238-01, Ro 07-1051;Ro 71051, Benznidazol (Ro 07-1051; Ro 71051), Benznidazole [INN], Benznidazol [INN-Spanish], Benznidazolum [INN-Latin], Ro 71051, SMR000857153, NSC 299972, CAS-22994-85-0, CCRIS 2200, SR-01000841264, UNII-YC42NRJ1ZD, BRN 0551486, Ragonil, Acetamide, N-benzyl-2-(nitroimidazol-1-yl)-, Rochagan (TN), Radanil (TN), Benznidazole (Standard), BENZNIDAZOLE [MI], Benznidazole (USAN/INN), Benznidazole [USAN:INN], BENZNIDAZOLE [USAN], SCHEMBL45081, BENZNIDAZOLE [MART.], MLS001332409, MLS001332410, MLS001360496, BENZNIDAZOLE [WHO-DD], BENZNIDAZOLE [WHO-IP], orb1302395, HY-B1548R, BENZNIDAZOLE [ORANGE BOOK], GLXC-06553, HMS2233G13, HMS3369C11, HMS5082E07, HY-B1548, Tox21_112364, BDBM50089916, BENZNIDAZOLUM [WHO-IP LATIN], EBC-03694, MSK159763, s3741, AKOS015916722, AKOS024283499, Tox21_112364_1, CCG-267054, DB11989, FB64954, 2-(2-nitroimidazolyl)-N-benzylacetamide, NCGC00166238-02, AS-68694, ST069365, SY247496, DB-371366, CS-0013411, NS00068191, C74184, D02489, N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide, EN300-1716737, N-benzyl-2-(2-nitro-1Himidazol-1-yl)acetamide, N-benzyl-2-(2-nitro-1H-imidazol-5-yl)acetamide, N-Benzyl-2-nitro-1H-imidazole-1-acetamide, 97%, Q425300, SR-01000841264-3, SR-01000841264-4, 1H-Imidazole-1-acetamide,2-Nitro-n-(phenylmethyl)-, BRD-K56156805-001-05-4, BRD-K56156805-001-09-6, 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)- [, Z2044771577, N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide (Benznidazole)
Theoretical properties:
molecular_formula: C12H12N4O3
molecular_weight: 260.25 g/mol
exact_mass: 260.09094026 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 19
topological_polar_surface_area: 92.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 190-192
solubility: >39 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: Benznidazole is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. It has a role as an antiprotozoal drug. It is a member of imidazoles, a monocarboxylic acid amide and a C-nitro compound.
chebi: A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.
chembl: BENZNIDAZOLE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Benznidazole is an antiparasitic medication used in the treatment of Chagas disease. While it is highly effective in early disease, the effectiveness decreases in those who have long-term infection. It is the first-line treatment given its moderate side effects compared to nifurtimox. It is taken by mouth.
Side effects are fairly common. They include rash, numbness, fever, muscle pain, loss of appetite, and trouble sleeping. Rare side effects include bone marrow suppression which can lead to low blood cell levels. It is not recommended during pregnancy or in people with severe liver or kidney disease. Benznidazole is in the nitroimidazole family of medication and works by the production of free radicals.
Benznidazole came into medical use in 1971. It is on the World Health Organization's List of Essential Medicines. As of 2012, Laboratório Farmacêutico do Estado de Pernambuco, a government run pharmaceutical company in Brazil was the only producer.