Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01217)
Name
Lofexidine
Synonyms    Click to Show/Hide the Synonyms of This API
Lofexidine; 31036-80-3; Lofexidina; Lofexidinum; Lofexidinum [INN-Latin]; 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole; Lofexidina [INN-Spanish]; Britlofex; 2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline; 2-(1-(2,6-Dichlorophenoxy)ethyl)-4,5-dihydro-1H-imidazole; 2-[1-(2,6-dichlorophenoxy)ethyl]-2-imidazoline; 1H-Imidazole, 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-; CHEMBL17860; CHEBI:51368; 31036-80-3 (free base); (+)-Lofexidine; (S)-(+)-Lofexidine; Baq-168;MDL-14042; Lofexidine [INN:BAN]; Lucemyra; UNII-UI82K0T627; Lofexidine (INN); SR-01000763628; UI82K0T627; DSSTox_CID_3221; DSSTox_RID_97547; Lofexidinum pound>>Britlofex; DSSTox_GSID_23221; SCHEMBL48960; 2-Imidazoline 2-(1-(2,6-dichlorophenoxy)ethyl)-; GTPL9868; IMI019; DTXSID7023221; HY-B1052A; HMS2090C03; HMS3713J03; 2-{1-[(2,6-dichlorophenyl)oxy]ethyl}-4,5-dihydro-1H-imidazole; BCP30596; Tox21_113963; BDBM50019646; ZB0288; AKOS015900265; CCG-220521; DB04948; NCGC00271513-02; CAS-31036-80-3; DB-047957; CS-0013650; FT-0627970; FT-0670834; FT-0670835; 98L088; D08141; AB00698543-05; AB00698543-07; AB00698543_08; AB00698543_09; A820699; J-507626; Q3836403; SR-01000763628-3; SR-01000763628-4; (+)-2-[1-(2,6-dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene; (-)-2-[1-(2,6-dichlorophenoxy)-ethyl]-1,3-diazacyclopent-2-ene; 2-[1-[2,6-bis(chloranyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole; 1H-Imidazole, 2-(1-(2,6-dichlorophenoxy)ethyl)-4,5-dihydro- (9CI)
Clinical Status
Approved
PubChem CID
30668
Formula
C11H12Cl2N2O
Canonical SMILES
CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl
InChI
1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKey
KSMAGQUYOIHWFS-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=30668"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 259.13 Topological Polar Surface Area 33.6
XlogP 2.6 Complexity 263
Heavy Atom Count 16 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Drug Formulations (DFMs) Containing This API
          Lofexidine 0.18 mg tablet 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
Lactose; Citric Acid; Povidone; Microcrystalline Cellulose; Calcium Stearate; Sodium Lauryl Sulphate; Indigo Carmine; Sunset Yellow
                   Dosage Form Tablet
                   Company Uswm
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sunset yellow FCF DIG Info Solute carrier SLCO2B1 (Ki = 68.4 uM) [1]
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [2]
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [1]
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [3]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
References
1 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
2 PubChem BioAssay data set.
3 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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