Compound: Methylprednisolone aceponate
SMILES: O=C1C=C2[C@]([C@H]3[C@@H](O)C[C@@]4([C@@](OC(=O)CC)(C(=O)COC(=O)C)CC[C@H]4[C@@H]3C[C@@H]2C)C)(C)C=C1
InChIKey: DALKLAYLIPSCQL-YPYQNWSCSA-N
Synonyms: Methylprednisolone aceponate, 86401-95-8, Advantan, Adventan, Aceponato de metilprednisolona, Aceponate de methylprednisolone, Methylprednisoloni aceponas, ET54W9J4U2, DTXSID2023301, 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate, (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate, 6alpha-methylprednisolone aceponate, (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-(2-(acetyloxy)acetyl)-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl propanoate, RefChem:158295, DTXCID303301, SH-440, Methylprednisolone aceponate [INN], C27H36O7, 6?-Methyl Prednisolone Aceponate, [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate, 6a-Methyl Prednisolone Aceponate, MFCD00866150, Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11b)-, Methylprednisolone aceponate (INN), (6alpha,11beta)-21-(Acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione, Methylprednisoloni aceponas [Latin], ZK91588, BRN 5663614, UNII-ET54W9J4U2, Aceponate de methylprednisolone [French], Aceponato de metilprednisolona [Spanish], Advantan (TN), Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11ss)-; (6a,11ss)-21-(Acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione; Advantan; Methylprednisolone aceponate; ZK 91588; 6a-Methylprednisolone aceponate, 6alpha-Methyl Prednisolone Aceponate, 6-alpha-methyl prednisolone aceponate, ZK-91588, methylprednisolone-aceponate, SCHEMBL3466, (6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate, orb1309528, CHEMBL1697782, CHEBI:135762, DALKLAYLIPSCQL-YPYQNWSCSA-N, GLXC-08106, ALBB-038662, EBC-27183, MSK011020, AKOS016003120, AC-6842, DB14643, FM25550, MSK011020-100A, METHYLPREDNISOLONE ACEPONATE [MI], MSK011020-1000A, NCGC00510142-01, (6|A,11|A)-21-(Acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione, [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate, DS-18010, METHYLPREDNISOLONE ACEPONATE [JAN], Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6-alpha,11-beta)-, HY-103025, 6.ALPHA.-METHYLPREDNISOLONE ACEPONATE, CS-0023308, METHYLPREDNISOLONE ACEPONATE [WHO-DD], NS00005423, 6-.ALPHA.-METHYLPREDNISOLONE ACEPONATE, D07203, EN300-7414988, F800506, Q6824052, BRD-K24452555-001-01-7, Methylprednisolone aceponate Solution in Acetonitrile, 100ug/mL, Methylprednisolone aceponate Solution in Acetonitrile, 1000ug/mL, 21-(Acetyloxy)-11beta-hydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate, 21-acetoxy-11beta-hydroxy-6alpha-methyl-17-propionyloxy-1,4-pregnadiene-3,20-dione, (6alpha,11beta)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate, 11.BETA.,17,21-TRIHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE, 21-ACETATE 17-PROPIONATE
Theoretical properties:
molecular_formula: C27H36O7
molecular_weight: 472.6 g/mol
exact_mass: 472.24610348 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 7
heavy_atom_count: 34
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Methylprednisolone aceponate is a corticosteroid hormone.
chembl: METHYLPREDNISOLONE ACEPONATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Methylprednisolone aceponate, or methylprednisolone acetate propionate, sold under the brand names Advantan and Avancort, is a glucocorticoid and a corticosteroid ester—specifically the C17α propionate and C21 acetate diester of methylprednisolone.
In Russia and some other countries the drug is available in 4 dosage forms differing in consistency and water content: emulsion (or lotion), cream, ointment and fatty ointment.