Compound: etanidazole
SMILES: O=[N+]([O-])c1nccn1CC(=O)NCCO
InChIKey: WCDWBPCFGJXFJZ-UHFFFAOYSA-N
Synonyms: etanidazole, 22668-01-5, Radinyl, Etanidazol, Etanidazolum, 1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-, NSC-301467, SR 2508, SR-2508, N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide, N-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide, NSC 301467, N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide, 30DKA3Q1HL, NSC301467, N-(2-Hydroxyethyl)-1-(2-nitro-1-imidazolyl)acetamide, CHEBI:75473, SR2508, RefChem:591350, 636-578-1, Etandazole, DTXSID8045434, N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide, MLS003115757, NCGC00016767-02, Ethanidazole, CAS-22668-01-5, Etanidazol [Spanish], Etanidazolum [Latin], DTXCID6025434, Etanidazole [USAN:INN], SR-05000001859, UNII-30DKA3Q1HL, BRN 0919296, WCDWBPCFGJXFJZ-UHFFFAOYSA-N, Radinyl(TM), Radinyl (TN), Prestwick_1056, SP-2508, Spectrum_001574, ETANIDAZOLE [MI], Prestwick0_000649, Prestwick1_000649, Prestwick2_000649, Prestwick3_000649, Spectrum2_000910, Spectrum4_001183, Spectrum5_001667, ETANIDAZOLE [INN], Etanidazole (USAN/INN), ETANIDAZOLE [USAN], SCHEMBL4414, ETANIDAZOLE [MART.], BSPBio_000657, KBioGR_001845, KBioSS_002054, CHEMBL47405, DivK1c_000305, SPECTRUM1503412, DuP-435, SPBio_000760, SPBio_002578, BPBio1_000723, orb1739766, HMS500P07, KBio1_000305, KBio2_002054, KBio2_004622, KBio2_007190, NINDS_000305, HMS1570A19, HMS2093E13, HMS2097A19, HMS3714A19, Tox21_110599, CCG-39747, AKOS028109842, Tox21_110599_1, DB12736, IDI1_000305, NCGC00016767-01, NCGC00016767-05, NCGC00095848-01, DA-73211, NCI60_002528, SMR001233273, SBI-0051823.P002, HY-116972, AB00052354, CS-0066927, NS00068761, D04075, 2-Nitroimidazole-1-acetamide, N-(2-hydroxyethyl)-, Q5402427, SR-05000001859-1, SR-05000001859-2, 2-(2-Nitro-imidazol-1-yl)-N-2-hydroxyethylacetamide, BRD-K96042922-001-09-8, N-(2-hydroxyethyl)-2-(2-nitro-1-imidazolyl)acetamide
Theoretical properties:
molecular_formula: C7H10N4O4
molecular_weight: 214.18 g/mol
exact_mass: 214.07020481 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 113 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Water > 100 (mg/mL)
Descriptions:
pubchem: Etanidazole is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. It has a role as a radiosensitizing agent, an alkylating agent, an antineoplastic agent and a prodrug. It is a member of imidazoles, a monocarboxylic acid amide and a C-nitro compound. It is functionally related to an ethanolamine.
chebi: A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1<em>H</em>-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells.
chembl: ETANIDAZOLE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Etanidazole is a nitroimidazole drug that was investigated in clinical trials for its radiosensitizing properties in cancer treatment. Administration of etanidazole results in a decrease of glutathione concentration and inhibits glutathione S-transferase.  The result is that tissues become more sensitive to the ionizing radiation.