Basic information
- CAS
92745-42-1- Standard SMILES
CCOC(=O)c1ncn2c1CN([11CH3])C(=O)c1cc(F)ccc1-2- InChIKey
OFBIFZUFASYYRE-JVVVGQRLSA-N- Molecular formula
- C15H14FN3O3
- Average molar mass
- 302.29 g/mol
- Monoisotopic mass
- 302.1133521
Names & identifiers
- Preferred name
- Flumazenil C-11
- IUPAC
- ethyl 8-fluoro-5-(111C)methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Names & synonyms
Flumazenil C-11Flumazenil C 11Flumazenil, C-11A8J61MEN4Z92745-42-14H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-(methyl-11C)-6-oxo-, ethyl esterDTXSID70239128RefChem:1085412DTXCID9016161911C-flumazenil(11C)flumazenilUNII-A8J61MEN4Z
Show more names
Flumazenil C 11 [USP]CHEMBL5413203SCHEMBL16187025SCHEMBL30305657MOLI000151FLUMAZENIL C 11 [USP IMPURITY]Q27273774Ethyl 8-fluoro-5-(~11~C)methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Database identifiers
- CAS
92745-42-1- PubChem CID
- 449752
- DTXSID
DTXSID70239128- ChEMBL
CHEMBL5413203- UNII
- A8J61MEN4Z
- Nikkaji
- J1.593.262G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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