Basic information
- CAS
63638-91-5- Standard SMILES
COc1cc(Br)c2oc(C3CCNCC3)cc2c1- InChIKey
WZXHSWVDAYOFPE-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO2
- Average molar mass
- 310.19 g/mol
- Monoisotopic mass
- 309.03644
Names & identifiers
- Preferred name
- Brofaromine
- IUPAC
- 4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidine
- English name
- Brofaromine
- Molecular formula
- C14H16BrNO2
- Molecular weight
- 310.19
Names & synonyms
Brofaromine63638-91-5ConsonarBrofaromina4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidineBrofarominum4-(7-Bromo-5-methoxy-2-benzofuranyl)piperidine6WV4B8Q07HDTXSID10213008Piperidine, 4-(7-bromo-5-methoxy-2-benzofuranyl)-, hydrochloridebrofaromin4-(5-methoxy-7-bromobenzofuranyl)-2-piperidine
Show more names
4-(7-bromo-5-methoxybenzofuran-2-yl)piperidinePiperidine, 4-(7-bromo-5-methoxy-2-benzofuranyl)-
RefChem:121487DTXCID70135499Brofaromine [INN]BrofarmineCGP 11305ACHEMBL160347BrofaremineBrofaromine (INN)
Database identifiers
- CAS
63638-91-5- PubChem CID
- 44571
- DTXSID
DTXSID10213008- ChEMBL
CHEMBL160347- UNII
- 6WV4B8Q07H
- Nikkaji
- J240.202E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 404 · 404.0±45.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO: 250 mg/mL (805.96 mM)
- form
- Solid
- pka
- 9.99 · 9.99±0.10(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 6 WV4B8Q07H · 6WV4B8Q07H
Chemistry & industry
Pharmacology
Metabolism/MetabolitesBrofaromine has known human metabolites that include O-desmethyl-brofaromine.
MeSH Pharmacological Classification
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
Applications
UsesBrofaromine (CGP 11305A) is a monoamine oxidase (MAO) inhibitor with IC50 of 0.2μM for MAO-A.
Suppliers13 total
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
3 records
Compound notes
Loading…