Etanidazole monohydrate
Basic information
- CAS
182323-12-2- Standard SMILES
O.O=C(Cn1ccnc1[N+](=O)[O-])NCCO- InChIKey
VLPRXIRKJZLPHS-UHFFFAOYSA-N- Molecular formula
- C7H12N4O5
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.0807695
Names & identifiers
- Preferred name
- Etanidazole monohydrate
- IUPAC
- N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide;hydrate
Names & synonyms
Etanidazole monohydrateUNII-0N3DVR1IMU0N3DVR1IMU182323-12-2DTXSID00171284N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide monohydrate1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-, monohydrateRefChem:137992DTXCID9093775SCHEMBL9473771Q27236980N-(2-Hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide--water (1/1)
Database identifiers
- CAS
182323-12-2- PubChem CID
- 177367
- DTXSID
DTXSID00171284- UNII
- 0N3DVR1IMU
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
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Related reactions
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Compound notes
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