Basic information
- CAS
120465-04-5- Standard SMILES
Oc1cc(Br)c2oc(C3CCNCC3)cc2c1- InChIKey
ROFOHNHESMVUGP-UHFFFAOYSA-N- Molecular formula
- C13H14BrNO2
- Average molar mass
- 296.16 g/mol
- Monoisotopic mass
- 295.02079
Overview
the primary metabolite of brofaromine; structure in first source
Names & identifiers
- Preferred name
- O-Desmethylbrofaromine
- IUPAC
- 7-bromo-2-piperidin-4-yl-1-benzofuran-5-ol
- English name
- O-desmethylbrofaromine
- Molecular formula
- C13H14BrNO2
- Molecular weight
- 296.16
Names & synonyms
O-DesmethylbrofaromineO-Desmethyl-brofaromine120465-04-5DTXSID201528735-Benzofuranol, 7-bromo-2-(4-piperidinyl)-RefChem:167187DTXCID00753647-bromo-2-piperidin-4-yl-1-benzofuran-5-ol7-BROMO-2-(PIPERIDIN-4-YL)-1-BENZOFURAN-5-OLNS00116041
Database identifiers
- CAS
120465-04-5- PubChem CID
- 129154
- DTXSID
DTXSID20152873- Nikkaji
- J544.071H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Chemistry & industry
Pharmacology
Metabolism/MetabolitesO-desmethyl-brofaromine is a known human metabolite of brofaromine.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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