Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01359)
Name
Prednicarbate
Synonyms    Click to Show/Hide the Synonyms of This API
PREDNICARBATE; Dermatop; 73771-04-7; Hoe 777; Hoe-777; Dermatop E emollient; UNII-V901LV1K7D; S-770777; MLS002154121; V901LV1K7D; Peitel; S 77 0777; Prednicarbato; Prednicarbatum; [2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate; Dermatop (TN); Prednicarbate (USP/INN); Prednicarbatum [INN-Latin]; Prednicarbat; Prednicarbato [INN-Spanish]; NCGC00016926-01; EINECS 277-590-3; Prednicarbate [USAN:USP:INN:BAN]; CAS-73771-04-7; Prestwick0_001044; Prestwick1_001044; Prestwick2_001044; Prestwick3_001044; SCHEMBL3941; DSSTox_CID_25502; DSSTox_RID_80919; DSSTox_GSID_45502; BSPBio_000968; S 770777; SPBio_002904; BPBio1_001066; GTPL7605; S-77 0777; CHEMBL1200386; DTXSID9045502; CHEBI:135791; HMS1571A10; HMS2098A10; HMS2230O11; HMS3715A10; ZINC3938652; Tox21_110687; LAS189961; AKOS025402043; AC-3521; CCG-221044; DB01130; LAS-189961; 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-(ethyl carbonate) 21-propionate; NCGC00179357-01; NCGC00179357-05; Pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11-hydroxy-21-(1-oxopropoxy)-, (11beta)-; SMR001233428; LAS-41003 COMPONENT PREDNICARBATE; AB00514017; D05601; 771P047; SR-01000841201; Q-101379; Q4376623; SR-01000841201-2; BRD-K46137903-001-03-3; S-77-0777
Clinical Status
Approved
PubChem CID
6714002
Formula
C27H36O8
Canonical SMILES
CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC
InChI
1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1
InChIKey
FNPXMHRZILFCKX-KAJVQRHHSA-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=6714002"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 488.6 Topological Polar Surface Area 116
XlogP 4.2 Complexity 982
Heavy Atom Count 35 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Full List of Drug Formulations (DFMs) Containing This API
          Prednicarbate 0.1% 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
Petrolatum; Water; Isopropyl Myristate; Lanolin Alcohols; Mineral Oil; Cetostearyl Alcohol; Aluminum Stearate; Edetate Disodium; Lactic Acid; Magnesium Stearate
                   Dosage Form Cream
                   Company Oceanside Pharmaceuticals
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Lactic acid DIG Info Fetal lung MRC5 cells (IC50 = 23930 nM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
References
1 Design, synthesis and biological studies of a library of NK1-Receptor Ligands Based on a 5-arylthiosubstituted 2-amino-4,6-diaryl-3-cyano-4H-pyran core: Switch from antagonist to agonist effect by chemical modification. Eur J Med Chem. 2017 Sep 29; 138:644-660.
2 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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