EU 11104
Basic information
- CAS
149396-91-8- Standard SMILES
Cc1ccc(C(C)(C)C)c(O)c1C(O)c1ncc([N+](=O)[O-])n1C- InChIKey
CRIMPGQQEKVTHW-UHFFFAOYSA-N- Molecular formula
- C16H21N3O4
- Average molar mass
- 319.36 g/mol
- Monoisotopic mass
- 319.15320616
Overview
effective against Helicobacter pylori; structure given in first source
Names & identifiers
- Preferred name
- EU 11104
- IUPAC
- 6-tert-butyl-2-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]-3-methylphenol
Names & synonyms
149396-91-8EU 11104EU-11104MIX2X17S001H-Imidazole-2-methanol, alpha-(3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl)-1-methyl-5-nitro-RefChem:139310UNII-MIX2X17S00CCRIS 82536-tert-butyl-2-[hydroxy(1-methyl-5-nitro-1h-imidazol-2-yl)methyl]-3-methylphenolDTXSID70933639Q272840591H-IMIDAZOLE-2-METHANOL, .ALPHA.-(3-(1,1-DIMETHYLETHYL)-2-HYDROXY-6-METHYLPHENYL)-1-METHYL-5-NITRO-
Database identifiers
- CAS
149396-91-8- PubChem CID
- 164483
- DTXSID
DTXSID70933639- UNII
- MIX2X17S00
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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