Compound: PREDNICARBATE
SMILES: O=C1C=C2[C@]([C@H]3[C@@H](O)C[C@@]4([C@@](OC(=O)OCC)(C(=O)COC(=O)CC)CC[C@H]4[C@@H]3CC2)C)(C)C=C1
InChIKey: FNPXMHRZILFCKX-KAJVQRHHSA-N
Synonyms: PREDNICARBATE, 73771-04-7, Dermatop, Hoe-777, Hoe 777, Prednicarbato, Dermatop E emollient, Prednicarbatum, DTXSID9045502, V901LV1K7D, S-770777, LAS189961, LAS-189961, NSC-760042, DTXCID7025502, S 77 0777, S-77 0777, S-77-0777, [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, LAS-41003 COMPONENT PREDNICARBATE, Pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11-hydroxy-21-(1-oxopropoxy)-, (11beta)-, (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, Pregna-1,4-diene-3,20-dione, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11beta)-, RefChem:58047, prednisolone-17-ethylcarbonate-21-propionate, D07AC18, 2-((1S,2R,10S,11S,14R,15S,17S)-14-((ethoxycarbonyl)oxy)-17-hydroxy-2,15-dimethyl-5-oxotetracyclo(8.7.0.02,?.011,1?)heptadeca-3,6-dien-14-yl)-2-oxoethyl propanoate, 277-590-3, Pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11-hydroxy-21-(1-oxopropoxy)-,(11beta)-, MLS002154121, Peitel, 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-(ethyl carbonate) 21-propionate, Dermatop (TN), Prednicarbate (USP/INN), Prednicarbatum [INN-Latin], UNII-V901LV1K7D, Prednicarbat, Prednicarbato [INN-Spanish], Prednicarbate CRS, Prednicarbate,USP, FNPXMHRZILFCKX-KAJVQRHHSA-N, NCGC00016926-01, EINECS 277-590-3, Prednicarbate - EP, Prednicarbate [USAN:USP:INN:BAN], CAS-73771-04-7, Prestwick0_001044, Prestwick1_001044, Prestwick2_001044, Prestwick3_001044, PREDNICARBATE [MI], PREDNICARBATE [INN], SCHEMBL3941, PREDNICARBATE [USAN], BSPBio_000968, PREDNICARBATE [VANDF], PREDNICARBATE [MART.], S 770777, SPBio_002904, PREDNICARBATE [USP-RS], PREDNICARBATE [WHO-DD], BPBio1_001066, GTPL7605, HOE777, orb1705053, orb3140033, CHEMBL1200386, MSK2251, CHEBI:135791, HMS1571A10, HMS2098A10, HMS2230O11, HMS3715A10, PREDNICARBATE [ORANGE BOOK], HY-B1365, PREDNICARBATE [EP MONOGRAPH], Tox21_110687, EBC-27220, MSK2251-100A, PREDNICARBATE [USP MONOGRAPH], AKOS025402043, MSK2251-1000A, Prednicarbate for system suitability A, AC-3521, CCG-221044, DB01130, NSC 760042, NCGC00179357-01, NCGC00179357-05, 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1-[(ethoxycarbonyl)oxy]-10-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl propanoate, FP172966, FP179099, SMR001233428, TS-08154, Prednicarbate for system suitability A CRS, AB00514017, CS-0013106, PREDNICARBATE COMPONENT OF LAS-41003, D05601, EN300-23248987, Prednicarbate Solution in Acetonitrile, 1000ug/mL, Prednicarbate Solution in Acetonitrile, 100ug/mL, SR-01000841201, Q4376623, SR-01000841201-2, BRD-K46137903-001-03-3, 17-[(Ethoxycarbonyl)oxy]-11beta-hydroxy-3,20-dioxopregna-1,4-dien-21-yl propanoate, (11beta)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)pregna-1,4-diene-3,20-dione, 2-((8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl propionate
Theoretical properties:
molecular_formula: C27H36O8
molecular_weight: 488.6 g/mol
exact_mass: 488.24101810 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 9
heavy_atom_count: 35
topological_polar_surface_area: 116 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Prednicarbate is a corticosteroid hormone.
chembl: PREDNICARBATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Prednicarbate is a relatively new topical corticosteroid drug. It is similar in potency to hydrocortisone. Corticosteroids have always been an important part of the pharmacological arsenal of dermatology; however, their tendency to produce side-effects has caused the need to search for new preparations.
It is nonhalogenated.