Compound: CORTISONE ACETATE
SMILES: O=C1C=C2[C@]([C@H]3C(=O)C[C@@]4([C@@](O)(C(=O)COC(=O)C)CC[C@H]4[C@@H]3CC2)C)(C)CC1
InChIKey: ITRJWOMZKQRYTA-RFZYENFJSA-N
Synonyms: CORTISONE ACETATE, 50-04-4, Cortisone 21-acetate, Cortone acetate, Cortisyl, Cortelan, Cortistab, Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, Cortisone, 21-acetate, Cortisone aceticum, NSC-49420, 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-acetate, 883WKN7W8X, DTXSID0022858, 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,11,20-trione, DTXCID502858, NSC49420, 17alpha,21-dihydroxypregn-4-ene-3,11,20-trione acetate, 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate, RefChem:54895, 200-006-5, 6alpha,9Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-Butyrate, Cortate, Cortogen, Cortone, Incortin, Biocort acetate, Cortadren, Scheroson, Artriona, Adreson, Irisone acetate, Ricortex, Cortogen acetate, Compound E acetate, Cortisone monoacetate, NSC 49420, Cortilen, Cortisone (acetate), 11-Dehydro-17-hydroxycorticosterone-21-acetate, 11-Dehydro-17-hydroxycorticosterone acetate, MFCD00003609, MLS000069478, Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-, 21-acetate, 2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate, NCGC00021191-07, [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate, 4-Pregnene-17a,21-diol-3,11,20-trione 21-acetate, 17,21-Dihydroxypregn-4-ene-3,11,20-trione-21-acetate, Cortisyl artriona, CAS-50-04-4, 2-((1S,10S,11S,15S,2R,14R)-14-hydroxy-2,15-dimethyl-5,17-dioxotetracyclo[8.7.0 .0<2,7>.0<11,15>]heptadec-6-en-14-yl)-2-oxoethyl acetate, SMR000059124, CCRIS 3661, Cortisone acetate (Cortone), EINECS 200-006-5, UNII-883WKN7W8X, Cortisone acetate [USP:JAN], cortisone-acetate, Acetate cortisone, component of Neosone, Cortone 21-acetate, Neosone (Salt/Mix), Cortisone acetate CRS, Cortisone-21-acetate, 21-Acetoxy-17,alpha-hydroxy-3,11,20-triketopregnene-4, 21-Acetoxy-17,alpha-hydroxypregn-4-ene-3,11,20-trione, Cortone acetate (TN), 4-Pregnene-17,alpha,21-diol-3,11,20-trione 21-acetate, SCHEMBL4501, CHEMBL1650, Cortisone acetate (Standard), Lopac0_000271, 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione 21-acetate, MLS002207136, MLS002548859, CHEBI:3897, orb1310999, orb3139488, CORTISONE ACETATE [JAN], Cortisone acetate (JP18/USP), Cortisone 21-acetate, >=99%, CORTISONE ACETATE [VANDF], CORTISONE ACETICUM [HPUS], MSK2238, CORTISONE ACETATE [MART.], HMS2235D24, HMS3259N19, HMS3260H04, HY-17461AR, CORTISONE ACETATE [USP-RS], CORTISONE ACETATE [WHO-DD], CORTISONE 21-ACETATE [MI], Tox21_113482, Tox21_500271, BDBM50455157, EBC-12901, HY-17461A, LMST02030120, MSK2238-100A, SBB080776, AKOS005267225, MSK2238-1000A, Tox21_113482_1, AC-6827, CCG-204366, CORTISONE ACETATE [ORANGE BOOK], CS-1742, DB01380, FC20559, LP00271, NC00677, SDCCGSBI-0050259.P002, CORTISONE ACETATE [EP MONOGRAPH], CORTISONE ACETATE [USP MONOGRAPH], NCGC00021191-03, NCGC00021191-06, NCGC00021191-08, NCGC00021191-09, NCGC00021191-16, NCGC00260956-01, [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 2-[(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate, AS-13692, ST075179, SY075877, EU-0100271, NS00006620, S2559, C08173, C90609, D00973, AB00384283-08, AB00384283_09, EN300-1709694, F787572, 21-Acetoxy-4-pregnen-17alpha-ol-3,11,20-trione, 21-Acetoxy-17?-hydroxy-3,11,20-triketopregnene-4, BRD-K86161929-001-11-7, BRD-K86161929-001-13-3, HYDROCORTISONE ACETATE IMPURITY D [EP IMPURITY], Cortisone 21-acetate Solution in Acetonitrile, 100ug/mL, Cortisone Acetate; Hydrocortisone Acetate EP Impurity D, Pregn-4-ene-3,20-trione, 21-(acetyloxy)-17-hydroxy-, Z2238899644, 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21 acetate, 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate #, 21-Acetoxy-17.alpha.-hydroxy-3,11,20-triketopregnene-4, 21-Acetoxy-17.alpha.-hydroxypregn-4-ene-3,11,20-trione, 4-Pregnen-17.alpha.,21-diol-3,11,20-trione 21-acetate, Cortisone 21-acetate Solution in Acetonitrile, 1000ug/mL, Pregn-4-ene-3,20-trione, 17,21-dihydroxy-, 21-acetate, 4-Pregnene-17.alpha.,21-diol-3,11,20-trione 21-acetate, Cortisone acetate, European Pharmacopoeia (EP) Reference Standard, Cortisone acetate, United States Pharmacopeia (USP) Reference Standard, Cortisone Acetate, Pharmaceutical Secondary Standard; Certified Reference Material, 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate (cortisone acetate); 2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate, 877761-70-1
Theoretical properties:
molecular_formula: C23H30O6
molecular_weight: 402.5 g/mol
exact_mass: 402.20423867 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 4
heavy_atom_count: 29
topological_polar_surface_area: 97.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 227-229
Descriptions:
pubchem: Cortisone acetate is a corticosteroid hormone.
chembl: CORTISONE ACETATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Cortisone acetate (brand names Adreson, Cortison, Cortisone, Cortisone Acetate, Cortone, Cortistab, Cortisyl, others) is a synthetic glucocorticoid corticosteroid and corticosteroid ester which is marketed (under prescription) in many countries throughout the world, including in the United States, the United Kingdom, and various other European countries. It is the C21 acetate ester of cortisone, and acts as a prodrug of cortisone in the body.