alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
Basic information
- CAS
62580-79-4- Standard SMILES
O=[N+]([O-])c1cnc(CO)n1CC(O)CCl- InChIKey
HQPDFZLULOWRMP-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3O4
- Average molar mass
- 235.62 g/mol
- Monoisotopic mass
- 235.0359835
Overview
a major metabolite of ornidazole
Names & identifiers
- Preferred name
- alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
- IUPAC
- 1-chloro-3-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]propan-2-ol
- English name
- alpha-(chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
- Molecular formula
- C7H10ClN3O4
- Molecular weight
- 235.62
Names & synonyms
62580-79-4M1-Ornidazolealpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanolRefChem:1110451-chloro-3-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]propan-2-olOrnidazole Impurity 211-Chloro-3-(2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl)propan-2-ol1-chloro-3-[2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl]propan-2-olSCHEMBL29910814DTXSID80978157alpha-(Chloromethyl)-2-(hydroxymethyl)-5-nitro-1H-imidazole-1-ethanolDB-360127
Show more names
Ornidazole-hydroxy1H-Imidazole-1-ethanol, α-(chloromethyl)-2-(hydroxymethyl)-5-nitro-
1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-(hydroxymethyl)-5-nitro-
Database identifiers
- CAS
62580-79-4- PubChem CID
- 3085247
- DTXSID
DTXSID80978157
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Chemistry & industry
Applications
UsesOrnidazole-hydroxy is a metabolite of Ornidazole(O688500) an Anti-infective.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…