Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00496)
Name
Ospemifene
Synonyms    Click to Show/Hide the Synonyms of This API
Ospemifene; 128607-22-7; Osphena; FC-1271a; Deamino-hydroxytoremifene; 2-(4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanol; Fc-1271; UNII-B0P231ILBK; 2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)ethanol; CCRIS 9205; B0P231ILBK; CHEBI:73275; senshio; Ethanol, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-; Ethanol, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethanol; Ophena; Ospemifene [USAN:INN:BAN]; Deaminotoremifene; Osphena (TN); Deaminohydroxytoremifene; Ospemifene, FC-1271a; C24H23ClO2; Ospemifene (INN/USAN/BAN); SCHEMBL948118; GTPL7349; CHEMBL2105395; HSDB 8281; BCP20981; HY-B0723; ZINC1550766; 2617AH; MFCD00871890; AKOS025401964; CCG-268392; CS-5961; DB04938; NCGC00386347-01; AC-27645; SW219657-1; A14261; D08958; J-005613; Q7107372; Z-2-[4-(4-chloro-1,2-diphenyl-but-1-enyl)-phenoxy]-ethanol; 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]ethanol
Clinical Status
Approved
Disease Indication Dyspareunia ICD-11: GA12 [1]
PubChem CID
3036505
Formula
C24H23ClO2
Canonical SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\\C3=CC=C(C=C3)OCCO)/CCCl
InChI
1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChIKey
LUMKNAVTFCDUIE-VHXPQNKSSA-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=3036505"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 378.9 Topological Polar Surface Area 29.5
XlogP 6.5 Complexity 441
Heavy Atom Count 27 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Drug Formulations (DFMs) Containing This API
          Ospemifene 60 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 monohydrate; Magnesium stearate; Mannitol; Titanium dioxide; Triacetin; Silicon dioxide; Hypromellose, unspecified; Microcrystalline cellulose; Polyethylene glycol, unspecified; Povidone, unspecified; Sodium starch glycolate type a potato; Starch, corn
                   Dosage Form Oral Tablet
                   Company Shionogi
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Silicon dioxide DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved ospemifene from the official website of the U.S. Food and Drug Administration.
2 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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