1.0 2016-05-22 05:56:31 UTC 2026-08-22 07:35:29 UTC Difluprednate SmallMolecule Difluprednate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 508.55 g/mol, Difluprednate is a heavy molecule. It has the chemical formula C27H34F2O7. The compound is recorded as being found in or released from six sources. These include corticosteroids and antiinflammatory agents within healthcare, pharmaceuticals, and veterinary products, as well as the treatment of hops and processing meats in food, food processing, and cookware. Additionally, it is associated with thin magnetic films in electrical and electronic equipment, and non electric simulated smoking devices in household cleaning and consumer products. The recorded route of exposure for this compound is ophthalmic. Difluprednate interacts with two recorded protein targets. It acts as an agonist of the glucocorticoid receptor (NR3C1) and also targets annexin A1 (ANXA1). C27H34F2O7 508.5515 508.227259852 (1R,2S,8S,10S,11S,14R,15S,17S)-14-[2-(acetyloxy)acetyl]-1,8-difluoro-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl butanoate (1R,2S,8S,10S,11S,14R,15S,17S)-14-[2-(acetyloxy)acetyl]-1,8-difluoro-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl butanoate 23674-86-4 [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1 WYQPLTPSGFELIB-JTQPXKBDSA-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-1,4-steroids Alkyl fluorides Alpha-acyloxy ketones Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Delta-1,4-steroids Dicarboxylic acids and derivatives Fluorohydrins Halogenated steroids Hydrocarbon derivatives Organic oxides Organofluorides Secondary alcohols Steroid esters 11-beta-hydroxysteroid 11-hydroxysteroid 20-oxosteroid 3-oxo-delta-1,4-steroid 3-oxosteroid 6-halo-steroid 9-halo-steroid Alcohol Aliphatic homopolycyclic compound Alkyl fluoride Alkyl halide Alpha-acyloxy ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Delta-1,4-steroid Dicarboxylic acid or derivatives Fluorohydrin Halo-steroid Halohydrin Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organooxygen compound Oxosteroid Progestogin-skeleton Secondary alcohol Steroid ester Aliphatic homopolycyclic compounds butyrate ester corticosteroid hormone Detected and Not Quantified Difluprednate Action Pathway SMP0126254 Difluprednate Drug Metabolism Action Pathway SMP0144121 logp 3 logp 3.28 ALOGPS logs -4.72 ALOGPS solubility 9.70e-03 g/l ALOGPS logp 3 ChemAxon pka_strongest_acidic 13.55 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (1R,2S,8S,10S,11S,14R,15S,17S)-14-[2-(acetyloxy)acetyl]-1,8-difluoro-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl butanoate ChemAxon average_mass 508.5515 ChemAxon mono_mass 508.227259852 ChemAxon smiles [H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C ChemAxon formula C27H34F2O7 ChemAxon inchi InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1 ChemAxon inchikey WYQPLTPSGFELIB-JTQPXKBDSA-N ChemAxon polar_surface_area 106.97 ChemAxon refractivity 125.38 ChemAxon polarizability 51.45 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7264c16730> DB06781 443936 BE0000794 BE0000422