Structure & Deep Data of Flumazenil (C15H14FN3O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The flumazenil molecule contains a total of 38 bond(s). There are 24 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 1 eleven-membered ring(s), 1 ester(s) (aromatic), 1 tertiary amide(s) (aromatic), and 1 Imidazole(s). Images of the chemical structure of flumazenil are given below:

The 2D chemical structure image of flumazenil is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of flumazenil are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of flumazenil is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of flumazenil. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Flumazenil Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of flumazenil

  The SMILES string of flumazenil is CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the flumazenil.

• Structure Data File (SDF/MOL File) of flumazenil

  The structure data file (SDF/MOL File) of flumazenil is available for download in the SDF page of flumazenil, which provides the information about the atoms, bonds, connectivity and coordinates of flumazenil. The flumazenil structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of flumazenil

  The molecular formula of flumazenil is available in chemical formula page of flumazenil, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of flumazenil

  The molecular weight of flumazenil is available in molecular weight page of flumazenil, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of flumazenil

  The flumazenil compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of flumazenil including the various registry numbers, if available:

  • EN300-123018
  • C-18913
  • Anexatereg
  • Flumazenil|Ro 15-1788|8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, ethyl ester
  • Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate #
  • Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylate
  • ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]-benzodiazepine-3-carboxylate
  • Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a] [1,4]benzodiazepine-3-carboxylate
  • ethyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate

  • ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0(2),]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
  • ETHYL 12-FLUORO-8-METHYL-9-OXO-2,4,8-TRIAZATRICYCLO[8.4.0.0(2),?]TETRADECA-1(10),3,5,11,13-PENTAENE-5-CARBOXYLATE
  • 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8- fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • Flumazenil, United States Pharmacopeia (USP) Reference Standard
  • Z1551429735
  • Flumazepil;Ro 15-1788;Anexate;Lanexat;Mazicon;Roma
  • Q-201122
  • A839484
  • AB00572626-13

  • AB00572626-12
  • W-5096
  • Ro-15-1788/000
  • Ro 15-1788/000
  • F0958
  • Ro-151788000
  • SBI-0050490.P002
  • Ro-?15-1788
  • K393
  • Flumazenil-Supplied by Selleck Chemicals

  • CCG-100968
  • 40P7XK9392
  • Flumazenil, >99% (HPLC), solid
  • HY-B0009
  • AFC-3002
  • Pharmakon1600-01505701
  • HMS3657K11
  • HMS3393D17
  • HMS3374E10
  • HMS3267P09

  • HMS3261F13
  • HMS2234F06
  • BDBM26263
  • [11C]flumazenil (PET ligand)
  • GTPL4367
  • GTPL4192
  • D005442
  • Flumazenil Injection, USP
  • Flumazenil Injection Sdz
  • Anexate Inj 0.1mg/ml

  • Ro 15 1788
  • nchembio747-comp37
  • Hoffman-La Roche Brand of Flumazenil
  • Hoffman La Roche Brand of Flumazenil
  • Flumazenil Injection
  • Flumazenil authentic
  • 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • Flumazenil [USAN:USP:INN:BAN]
  • Jamp-flumazenil
  • Flumenazil

  • Roche Brand of Flumazenil
  • CAS-78755-81-4
  • Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0;{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate
  • 8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma,Flumazenil
  • Flumazil
  • fumazenil
  • I01-0379
  • BRD-K98769987-001-01-3

  • F 6300
  • D00697
  • [3H]Ro15-1788
  • [11C]flumazenil
  • Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • Ethyl 8-fluoro-5-methyl-5,6-dihydro-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
  • Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
  • MFCD00242764
  • HMS2089B15

  • HMS2051D17
  • UPCMLD-DP137:001
  • 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • BIDD:GT0766
  • Flumazenil (JAN/USP/INN)
  • UPCMLD-DP137
  • Lopac-F-6300
  • Tocris-1328
  • Flumazenil (Ro 15-1788)
  • Ro15-1788

  • Flumazenil [USAN:BAN:INN]
  • Romazicon (TN)
  • C15H14FN3O3
  • Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
  • Ro-15-1788
  • Ro 151788
  • Ro 15-1788
  • Flumazenilo [Spanish]
  • Flumazenilum [Latin]
  • Flumazenilum

  • Flumazenilo
  • Mazicon
  • Lanexat
  • Romazicon
  • Anexate
  • 78755-81-4
  • flumazenil
  • Flumazepil

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Flumazenil Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of flumazenil?
C15H14FN3O3
How many atoms and what are the elements included the flumazenil molecule?
36 atom(s) - 14 Hydrogen atom(s), 15 Carbon atom(s), 3 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the flumazenil structure?
38 bond(s) - 24 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 1 eleven-membered ring(s), 1 ester(s) (aromatic), 1 tertiary amide(s) (aromatic), and 1 Imidazole(s)
What’s the flumazenil’s molecular weight?
303.28836 g/mol
What’s the SMILES code of flumazenil?
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
What’s the InChI string of flumazenil?
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
What’s the InChIKey code of flumazenil?
OFBIFZUFASYYRE-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).