Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01033)
Name
Efinaconazole
Synonyms    Click to Show/Hide the Synonyms of This API
EFINACONAZOLE; 164650-44-6; KP-103; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; JUBLIA; UNII-J82SB7FXWB; KP103; J82SB7FXWB; CHEBI:82718; 164905-19-5; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaR)-; Kp 103; Efinaconazole [USAN:INN]; efinaconazol; efinaconazolum; IDP-108; Clenafin (TN); Jublia (TN); Efinaconazole(KP-103); Efinaconazole; KP-103; SCHEMBL300738; ZINC6251; CHEMBL2103877; Efinaconazole (JAN/USAN/INN); C18H22F2N4O; HSDB 8341; DTXSID40167787; BCP11665; EX-A2643; 2856AH; MFCD00936407; s5025; AKOS027323571; CCG-268012; CS-3500; DB09040; NCGC00390702-01; NCGC00390702-02; NCGC00390702-03; (2R,3R)-2-(2,4-Difluorofenil)-3-(4-metilenopiperidin-1-il)-1-(1H-1,2,4-triazin-1-il)butan-2-ol; AC-30630; AS-30126; HY-15660; D10021; Q21011225; (2R, 3R)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol; (2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)butane-2-ol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidino)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1- ylmethyl)-, (alphaR,betaR)-
Clinical Status
Approved
PubChem CID
489181
Formula
C18H22F2N4O
Canonical SMILES
C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
InChI
1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
InChIKey
NFEZZTICAUWDHU-RDTXWAMCSA-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=489181"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 348.4 Topological Polar Surface Area 54.2
XlogP 2 Complexity 470
Heavy Atom Count 25 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Full List of Drug Formulations (DFMs) Containing This API
          Efinaconazole 10% solution 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
Alcohol; Anhydrous Citric Acid; Butylated Hydroxytoluene; C12-15 Alkyl Lactate; Cyclomethicone; Diisopropyl Adipate; Disodium Edetate; Purified Water
                   Dosage Form Solution
                   Company Bausch
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Butylated hydroxytoluene DIG Info Carbonic anhydrase II (Ki = 630 nM) [1]
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [2]
Diisopropyl adipate DIG Info Cholesterol 25-hydroxylase (IC50 = 110000 nM) [3]
References
1 Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols. Bioorg Med Chem. 2009 Apr 15; 17(8):3207-11.
2 PubChem BioAssay data set.
3 Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. J Med Chem. 2005 Jun 2; 48(11):3808-15.

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