[11C]flumazenil   Click here for help

GtoPdb Ligand ID: 4367

Synonyms: [11C]flumazenil (PET ligand)
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: Please note the image of the structure shown here does not specify the position of the carbon isotope.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 63.91
Molecular weight 303.1
XLogP 2.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F
Isomeric SMILES CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F
InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChI Key OFBIFZUFASYYRE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Synonyms Click here for help
[11C]flumazenil (PET ligand)
Database Links Click here for help
ChEMBL Ligand CHEMBL407
DrugCentral Ligand 1195
GtoPdb PubChem SID 178101182
PubChem CID 3373
RCSB PDB Ligand FYP
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Tocris
Flumazenil
Cat. No. 1328