Molecular Identity
Etanidazole
N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID: 3276
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.
2D Structure
Properties
C7H10N4O4
Molecular Formula
214.18
Molecular Weight
g/mol
214.0702
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
242
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCOIsomeric SMILES
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCOSynonyms(20)
etanidazole22668-01-5RadinylEtanidazolEtanidazolum1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-NSC-301467SR 2508SR-2508N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamideN-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamideNSC 301467N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide30DKA3Q1HLNSC301467
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Etanidazole
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