1.0 2016-05-22 06:16:10 UTC 2026-08-22 04:00:58 UTC Flurandrenolide SmallMolecule Flurandrenolide is an organic compound with the chemical formula $\text{C}_{24}\text{H}_{33}\text{FO}_6$ and an average molecular weight of 436.51 g/mol. Flurandrenolide belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. The compound is found in or released from nine recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it appears in corticosteroids and corticosteroids combined with antibiotics. It is also associated with household cleaning and consumer products, including soap detergents, tobacco smoke filters, cigar cigarettes, other smoking requisites, and non-electric simulated smoking devices. Additionally, it is found in electrical and electronic equipment, specifically hybrid capacitors and electrically stimulated smoking devices. The recorded route of exposure for this compound is topical. At the molecular level, flurandrenolide interacts with four recorded protein targets. It acts as an agonist or modulator of the glucocorticoid receptor (NR3C1) and interacts with three steroid hormone receptors: ERR1 (ESRRA), ERR2 (ESRRB), and estrogen-related receptor gamma (ESRRG). (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-17-en-16-one C24H33FO6 436.5136 436.226116993 (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-17-en-16-one flurandrenolide 1524-88-5 [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1 POPFMWWJOGLOIF-XWCQMRHXSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 21-hydroxysteroids 1,3-dioxolanes 11-beta-hydroxysteroids 20-oxosteroids 3-oxo delta-4-steroids Alkyl fluorides Alpha-hydroxy ketones Cyclic alcohols and derivatives Cyclohexenones Delta-4-steroids Gluco/mineralocorticoids, progestogins and derivatives Halogenated steroids Hydrocarbon derivatives Ketals Organic oxides Organofluorides Oxacyclic compounds Primary alcohols Secondary alcohols 11-beta-hydroxysteroid 11-hydroxysteroid 20-oxosteroid 21-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid 6-halo-steroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl fluoride Alkyl halide Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Delta-4-steroid Halo-steroid Hydrocarbon derivative Ketal Ketone Meta-dioxolane Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Secondary alcohol Aliphatic heteropolycyclic compounds Detected and Not Quantified Flurandrenolide Action Pathway SMP0126235 Flurandrenolide Drug Metabolism Action Pathway SMP0143283 logp 1.56 logp 2.02 ALOGPS logs -3.88 ALOGPS solubility 5.78e-02 g/l ALOGPS logp 1.56 ChemAxon pka_strongest_acidic 13.73 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-17-en-16-one ChemAxon average_mass 436.5136 ChemAxon mono_mass 436.226116993 ChemAxon smiles [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO ChemAxon formula C24H33FO6 ChemAxon inchi InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1 ChemAxon inchikey POPFMWWJOGLOIF-XWCQMRHXSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 110.79 ChemAxon polarizability 45.74 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3f9d710> DB00846 15209 14475 BE0000794 BE0003722 BE0005001 BE0002088