Bromadoline
Basic information
- CAS
67579-24-2- Standard SMILES
CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1- InChIKey
UFDJFJYMMIZKLG-KBPBESRZSA-N- Molecular formula
- C15H21BrN2O
- Average molar mass
- 325.24 g/mol
- Monoisotopic mass
- 324.08373
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bromadoline
- IUPAC
- 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide
Names & synonyms
BROMADOLINEBromadolinaBromadolinumR8DWN01P1Mtrans-p-Bromo-N-(2-(dimethylamino)cyclohexyl)benzamideDTXSID402178974-Bromo-N-(trans-2-(dimethylamino)cyclohexyl)benzamideBenzamide, 4-bromo-N-(2-(dimethylamino)cyclohexyl)-, trans-4-bromo-N-(2-(dimethylamino)cyclohexyl)benzamideBromadoliumRefChem:121493DTXCID901774251
Show more names
67579-24-2Bromadoline [INN]4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamideBromadolinum [Latin]Bromadolina [Spanish]UNII-R8DWN01P1MBROMADOLINE [WHO-DD]SCHEMBL1817292
Database identifiers
- CAS
67579-24-2- PubChem CID
- 54753
- DTXSID
DTXSID40217897- ChEMBL
CHEMBL2110893- UNII
- R8DWN01P1M
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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