1.0 2016-05-22 06:34:02 UTC 2026-08-22 08:36:01 UTC Hydrocortisone buteprate SmallMolecule Hydrocortisone buteprate is an organic compound with the chemical formula $\text{C}_{28}\text{H}_{40}\text{O}_7$ and an average molecular weight of 488.61 g/mol. Hydrocortisone buteprate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is classified within the superclass of lipids and lipid-like molecules. The compound has been identified in two recorded sources: indoor air, representing air, dust, and atmospheric transport, and corticosteroids, representing healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes for this substance include topical application and inhalation. Hydrocortisone buteprate interacts with four recorded protein targets. It acts as an agonist or inhibitor of the glucocorticoid receptor (NR3C1), Annexin A1 (ANXA1), 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 (HSD3B1), and 11-beta-hydroxysteroid dehydrogenase type 2 (HSD11B2). C28H40O7 488.613 488.277403634 (1S,2R,10S,11S,14R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxo-14-[2-(propanoyloxy)acetyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl butanoate pandel 72590-77-3 [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1 FOGXJPFPZOHSQS-AYVLZSQQSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives 11-beta-hydroxysteroids 20-oxosteroids 3-oxo delta-4-steroids Alpha-acyloxy ketones Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols Steroid esters 11-beta-hydroxysteroid 11-hydroxysteroid 20-oxosteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Alpha-acyloxy ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol Steroid ester Aliphatic homopolycyclic compounds C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives butyrate ester corticosteroid hormone Detected and Not Quantified Hydrocortisone probutate Drug Metabolism Action Pathway SMP0145177 logp 4 logp 3.83 ALOGPS logs -5.24 ALOGPS solubility 2.83e-03 g/l ALOGPS logp 4 ChemAxon pka_strongest_acidic 14.81 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (1S,2R,10S,11S,14R,15S,17S)-17-hydroxy-2,15-dimethyl-5-oxo-14-[2-(propanoyloxy)acetyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl butanoate ChemAxon average_mass 488.613 ChemAxon mono_mass 488.277403634 ChemAxon smiles [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C ChemAxon formula C28H40O7 ChemAxon inchi InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1 ChemAxon inchikey FOGXJPFPZOHSQS-AYVLZSQQSA-N ChemAxon polar_surface_area 106.97 ChemAxon refractivity 129.56 ChemAxon polarizability 54.07 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c4d038> DB14543 636398 552186 BE0000422 BE0000794 BE0000131 BE0000051