Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01087)
Name
Flumazenil
Synonyms    Click to Show/Hide the Synonyms of This API
flumazenil; 78755-81-4; Anexate; Flumazepil; Romazicon; Lanexat; Mazicon; Ro 15-1788; fumazenil; Flumazenilum [Latin]; Flumazenilo [Spanish]; Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate; Flumazenilo; Flumazenilum; [11C]flumazenil; Flumazenil (Ro 15-1788); Ro-15-1788; Ro 151788; ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; UNII-40P7XK9392; Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; CHEMBL407; Ro15-1788; MLS000028850; CHEBI:5103; MFCD00242764; 40P7XK9392; 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester; NCGC00015439-06; SMR000058450; RO-151788; DSSTox_CID_3064; Ro 15-1788/000; DSSTox_RID_76860; Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate; DSSTox_GSID_23064; 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; Flumazil; [3H]Ro15-1788; Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate; CAS-78755-81-4; SR-01000075879; BRN 4763661; Flumenazil; Roma; [11C]flumazenil (PET ligand); Flumazenil [USAN:USP:INN:BAN]; Romazicon (TN); 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester; Flumazenil authentic; FYP; Tocris-1328; Opera_ID_1516; Lopac-F-6300; Biomol-NT_000285; UPCMLD-DP137; Ethyl 8-fluoro-5-methyl-5,6-dihydro-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate; Lopac0_000506; SCHEMBL79030; Flumazenil (JAN/USP/INN); MLS000759529; MLS001076354; MLS001424108; BIDD:GT0766; BPBio1_001190; GTPL4192; GTPL4367; IMI061; ZINC1464; DTXSID2023064; UPCMLD-DP137:001; BDBM26263; AOB5595; HMS2051D17; HMS2089B15; HMS2234F06; HMS3261F13; HMS3267P09; HMS3374E10; HMS3393D17; HMS3412G20; HMS3657K11; HMS3676G20; HMS3884G11; Pharmakon1600-01505701; AFC-3002; AMY39505; BCP07573; HY-B0009; Flumazenil, >99% (HPLC), solid; Tox21_110148; Tox21_500506; NSC759193; PDSP1_001778; PDSP2_001761; s1332; AKOS015888159; Tox21_110148_1; AC-6846; CCG-100968; CS-0629; DB01205; LP00506; MCULE-2830706565; NC00218; NSC-759193; RO-1722; SDCCGSBI-0050490.P003; NCGC00015439-01; NCGC00015439-02; NCGC00015439-03; NCGC00015439-04; NCGC00015439-05; NCGC00015439-07; NCGC00015439-08; NCGC00015439-09; NCGC00015439-11; NCGC00015439-14; NCGC00015439-22; NCGC00025116-01; NCGC00025116-02; NCGC00025116-03; NCGC00025116-04; NCGC00025116-05; NCGC00261191-01; AS-13923; Flumazenil 100 microg/mL in Acetonitrile; K393; SBI-0050490.P002; AB0014201; DB-056331; Ro-151788000; EU-0100506; F-145; F0958; FT-0630863; RO-41-8157; SW197598-2; Ro-15-1788/000; C07825; D00697; F 6300; W-5096; AB00572626-12; AB00572626-13; AB00572626_14; AB00572626_15; 755F814; A839484; Q421920; Q-201122; SR-01000075879-1; SR-01000075879-3; SR-01000075879-7; BRD-K98769987-001-01-3; BRD-K98769987-001-12-0; Z1551429735; Flumazenil, United States Pharmacopeia (USP) Reference Standard; ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.; 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-,ethyl ester; 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8- fluoro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester; 8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester; 8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, ethyl ester; 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester; ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate; ethyl 8-fluoranyl-5-methyl-6-oxidanylidene-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-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]benzodiazepin-3-carboxylate; Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate #
Clinical Status
Approved
PubChem CID
3373
Formula
C15H14FN3O3
Canonical SMILES
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
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
InChIKey
OFBIFZUFASYYRE-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=3373"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 303.29 Topological Polar Surface Area 64.4
XlogP 1 Complexity 461
Heavy Atom Count 22 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Flumazenil 1mg/10ml injectable Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Methylparaben; Propylparaben; Acetic Acid 0.01%; Edetate Disodium 0.01%; Hydrochloric Acid; Sodium Hydroxide; Sodium Chloride 0.9%; Water For Injection
                   Dosage Form Injectable
                   Company Mylan Institutional
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
methylparaben DIG Info Carbonic anhydrase VII (Ki = 780 nM) [1]
Acetic acid DIG Info Free fatty acid receptor 3 (EC50 = 12000 nM) [2]
Propylparaben sodium DIG Info Estrogen receptor alpha (EC50 = 38200 nM) [3]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [4]
          Flumazenil 0.5mg/5ml injectable Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Water; Methylparaben; Propylparaben; Sodium Chloride; Edetate Disodium; Acetic Acid; Hydrochloric Acid; Sodium Hydroxide
                   Dosage Form Injectable
                   Company Baxter Healthcare Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
methylparaben DIG Info Carbonic anhydrase VII (Ki = 780 nM) [1]
Acetic acid DIG Info Free fatty acid receptor 3 (EC50 = 12000 nM) [2]
Propylparaben sodium DIG Info Estrogen receptor alpha (EC50 = 38200 nM) [3]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [4]
References
1 Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem. 2013 Mar 15; 21(6):1564-9.
2 Microbiota-Host Transgenomic Metabolism, Bioactive Molecules from the Inside. J Med Chem. 2018 Jan 11; 61(1):47-61.
3 Discovery of natural estrogen receptor modulators with structure-based virtual screening. Bioorg Med Chem Lett. 2013 Jun 1; 23(11):3329-33.
4 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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