Basic information
- CAS
91433-73-7- Standard SMILES
O=C(CCCN1CCC(n2c(=O)n([77Br])c3ccccc32)CC1)c1ccc(F)cc1- InChIKey
LLJNEZOZHARXFU-RQUWHVIDSA-N- Molecular formula
- C22H23BrFN3O2
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.09881
Overview
used for in-vivo mapping of cerebral dopamine receptor areas; structure given in first source
Names & identifiers
- Preferred name
- Brombenperidol
- IUPAC
- 1-(77Br)bromo-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one
- English name
- brombenperidol
- Molecular formula
- C22H23BrFN3O2
- Molecular weight
- 458.3213232
Names & synonyms
Brombenperidol91433-73-7DTXSID20238565RefChem:121502DTXCID7016105675Br-Brombenperidol77Br-Brombenperidol1-(77Br)bromanyl-3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]benzimidazol-2-one1-(~77~Br)bromo-3-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1,3-dihydro-2H-1,3-benzimidazol-2-one2H-Benzimidazol-2-one, ar-(bromo-77Br)-1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)-1,3-dihydro-
Database identifiers
- CAS
91433-73-7- PubChem CID
- 3035530
- DTXSID
DTXSID20238565
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…