Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01028)
Name
Econazole nitrate
Synonyms    Click to Show/Hide the Synonyms of This API
Econazole nitrate; 24169-02-6; Ifenec; Pevaryl; Epi-pevaryl; Gyno-pevaryl; Econazole (nitrate); Spectazole; 68797-31-9; Econazole nitrate salt; (+-)-Econazole nitrate; Gyno-Pevaryl 150; Palavale; NSC 243115; R 14827; MFCD00058160; R 14,827; SQ 13050; Econazole nitrate (Spectazole); MLS000028626; NSC-243115; 24169-02-6 (NITRATE); SMR000058732; DSSTox_CID_5226; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid; DSSTox_RID_77708; DSSTox_GSID_25226; Econazole mononitrate; EcoNail; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate; CCRIS 6031; NSC243115; 1-(2-[(4-Chlorophenyl)methoxy]-2-[2,4-dichlorophenyl]ethyl)-1H-imidazole; SR-01000003142; NCGC00018258-03; EINECS 246-053-5; Micogin; Ecoza; C18H16Cl3N3O4; 1-(2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate; 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate; Spectazole (TN); Prestwick_191; GYNORYL; Ecoza (TN); Econazole nitrate [USAN:USP:BAN:JAN]; Econazole Nitrate,(S); 1-[2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate; Opera_ID_1393; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate; CAS-24169-02-6; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid; SCHEMBL36213; MLS001076561; MLS002222182; MLS002415728; Econazole nitrate (JAN/USP); SPECTRUM1501185; REGID_for_CID_68589; CHEMBL1201049; DTXSID6025226; HMS500F15; HMS1568N10; HMS1921P03; HMS2092L03; HMS2095N10; HMS2235C19; HMS3656C14; HMS3712N10; Pharmakon1600-01501185; BCP12552; HY-B0453; Tox21_110852; Tox21_200771; Tox21_303391; CCG-38966; NSC757882; s2535; AKOS015895218; Tox21_110852_1; AB02338; AC-1113; NSC-757882; 1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazolium nitrate; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate; NCGC00018258-10; NCGC00089813-02; NCGC00094926-01; NCGC00094926-02; NCGC00094926-03; NCGC00094926-04; NCGC00257500-01; NCGC00258325-01; AS-13263; H755; SQ-13050; AB0013234; E0957; FT-0625644; FT-0630510; SW196500-3; VU0239797-5; C08069; D00881; 1H-Imidazole,4-dichlorophenyl]ethyl)-, nitrate; A836253; 1H-Imidazole,4-dichlorophenyl)ethyl]-, mononitrate; J-015380; SR-01000003142-2; SR-01000003142-3; Q27279621; 1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate; Imidazole,4-dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]-, mononitrate; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolenitric acid; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate (8CI); 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (9CI)
Clinical Status
Approved
PubChem CID
68589
Formula
C18H16Cl3N3O4
Canonical SMILES
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChI
1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey
DDXORDQKGIZAME-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=68589"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 444.7 Topological Polar Surface Area 93.1
XlogP N.A. Complexity 404
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Econazole Nitrate 1% aerosol 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
Dimethicone; Glycerin; Polysorbate 20; Povidone; Propylene Glycol; Stearic Acid; Trolamine; Purified Water; Butane
                   Dosage Form Aerosol
                   Company Resilia Pharms
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Stearic acid DIG Info Phosphodiesterase 3A (IC50 = 3.1 uM) [1]
Trolamine DIG Info Choline acetylase (IC50 < 200000 nM) [2]
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [3]
Polysorbate 20 DIG Info Cytochrome P450 2E1 (IC50 = 64.1 uM) [4]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
          Econazole Nitrate 1% cream 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
Pegoxol 7 Stearate; Peglicol 5 Oleate; Mineral Oil; Benzoic Acid; Butylated Hydroxyanisole; Purified Water
                   Dosage Form Cream
                   Company Alvogen
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Benzoic acid DIG Info FHA-HIT-interacting protein (Ki = 1.9 nM) [5]
Butylhydroxyanisole DIG Info Prostaglandin G/H synthase 2 (IC50 = 2.6 uM) [1]
References
1 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2 Chemistry and biological activities of N,N-dimethylaminoethyl acrylate, a choline acetyltransferase inhibitor. J Med Chem. 1976 Feb; 19(2):300-3.
3 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
5 WO patent application no. 2017162840A1, SENSITIZATION OF CANCER CELLS TO NAMPT INHIBITORS BY NICOTINIC ACID PHOSPHORIBOSYLTRANSFERASE NEUTRALIZATION.

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