chempirical

Flumazenil

C15H14FN3O3CAS 78755-81-4303.29 g/mol

Open in Covalent MOL file
OONNNOF
AmideAryl halideEsterLactam

Properties

Molecular formula
C15H14FN3O3
Molar mass
303.29 g/mol
Exact mass
303.1019 Da
Melting point
201–203 °C
logP
1.77Crippen estimate
Polar surface area
64.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
78755-81-4
SMILES
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
InChIKey
OFBIFZUFASYYRE-UHFFFAOYSA-N
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

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Names and synonyms

12 names
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • Ro 15-1788
  • Anexate
  • Flumazepil
  • Ro 151788
  • Romazicon
  • Flumenazil
  • Ro 41-8157
  • Ro 1722
  • Mazicon
  • Lanexat
  • Ro 15-1788/000

Work with Flumazenil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2,4-difluorobenzoate108928-00-342 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-142 % similar Ethyl 3-fluorobenzoate451-02-539 % similar Ethyl 4-fluorobenzoate451-46-739 % similar Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate100491-29-038 % similar Ethyl 2-(2,4-difluorophenyl)-4-thiazolecarboxylate175276-93-438 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-737 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook