Compound: Hydrocortisone buteprate
SMILES: O=C1C=C2[C@]([C@H]3[C@@H](O)C[C@@]4([C@@](OC(=O)CCC)(C(=O)COC(=O)CC)CC[C@H]4[C@@H]3CC2)C)(C)CC1
InChIKey: FOGXJPFPZOHSQS-AYVLZSQQSA-N
Synonyms: Hydrocortisone buteprate, Hydrocortisone probutate, 72590-77-3, Hydrocortisone butyrate propionate, Hydrocortisone 17-butyrate 21-propionate, TS 408, Hydrocortisone probutat, DTXSID3048603, O6550D6K3A, TS-408, DTXCID6028529, 11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate, RefChem:55351, 276-726-9, Pandel, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-butyrate 21-propionate, Hydrocortisone probutate [USAN], [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate, (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-9a,11a-dimethyl-7-oxo-1-[2-(propanoyloxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl butanoate, Hydrocortisone butyrate propionate [JAN], Hydrocortisone probutate (USAN), Hydrocortisone butyrate propionate (JAN), Hydrocortisone probutate;HBP, UNII-O6550D6K3A, NCGC00183276-01, EINECS 276-726-9, Pandel (TN), SCHEMBL4778, orb1707931, orb3025470, CHEMBL1200953, CHEBI:31675, Hydrocortisone buteprate (Standard), Tox21_112938, 17-Butyryloxy-11-beta-hydroxy-21-propionyloxy-4-pregnene-3,20-dione, EBC-27221, LMST02030128, MSK163905, AKOS040740812, DB14543, FH23884, HY-106673R, MSK163905-100A, HYDROCORTISONE BUTEPRATE [MART.], HYDROCORTISONE BUTEPRATE [VANDF], HYDROCORTISONE PROBUTAT [WHO-DD], HYDROCORTISONE PROBUTATE [VANDF], Pregn-4-ene-3,20-dione, 11-hydroxy-17-(1-oxobutoxy)-21-(1-oxopropoxy)-, (11-beta)-, Pregn-4-ene-3,30-dione, 11-beta,17,21-trihydroxy-, 17-butyrate, 21-propionate, DA-54156, MS-29085, CAS-72590-77-3, HY-106673, CS-0026321, CORTISOL, 17-BUTYRATE, 21-PROPIONATE, HYDROCORTISONE PROBUTATE [ORANGE BOOK], D01886, G12753, EN300-19767690, Hydrocortisone probutate Solution in Acetonitrile, 100ug/mL, 17a-Butyryloxy-11b-hydroxy-21-propionyloxy-4-pregnene-3,20 -dione, 11beta-Hydroxy-17-(1-oxobutoxy)-21-(1-oxopropoxy)pregn-4-ene-3,20-dione, 11beta-Hydroxy-3,20-dioxo-21-(propanoyloxy)pregn-4-en-17-yl butanoate, (11b)-11-Hydroxy-17-(1-oxobutoxy)-21-(1-oxopropoxy)pregn-4-ene-3,20-dione, 11.BETA.-HYDROXY-17-(1-OXOBUTOXY)-21-(1-OXOPROPOXY)PREGN-4-ENE-3,20-DIONE, Pregn-4-ene-3,20-dione, 11-hydroxy-17-(1-oxobutoxy)-21-(1-oxopropyl)-, (11beta)-, (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl butyrate
Theoretical properties:
molecular_formula: C28H40O7
molecular_weight: 488.6 g/mol
exact_mass: 488.27740361 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 9
heavy_atom_count: 35
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Hydrocortisone butyrate propionate is a corticosteroid hormone and a butyrate ester.
chembl: HYDROCORTISONE PROBUTATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Hydrocortisone buteprate, also known as hydrocortisone probutate and as hydrocortisone butyrate propionate, is a topical corticosteroid. It is an ester of hydrocortisone (cortisol) with butyric acid and propionic acid.