Identification Common Name Dexamethasone isonicotinate Class Small Molecule Description Dexamethasone isonicotinate is an anti-inflammatory, anti-allergic glucocorticoid that can be administered orally, by inhalation, topically, and parenterally. Its unintended mineralocorticoid action may cause salt and water retention. Contaminant Sources STOFF IDENT Compounds
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source Dexamethasone 21-isonicotinate Kegg Voren Kegg Dexamethasone 21-isonicotinic acid Generator Dexamethasone isonicotinic acid Generator Isonicotinate, dexamethasone MeSH Auxison MeSH [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-Dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pyridine-4-carboxylic acid Generator Dexamethasone isonicotinate MeSH 2-[(1R,2S,10S,11S,13R,14R,15S,17S)-1-Fluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl pyridine-4-carboxylic acid Generator
Chemical Formula C28 H32 FNO6 Average Molecular Mass 497.563 g/mol Monoisotopic Mass 497.221 g/mol CAS Registry Number 2265-64-7 IUPAC Name 2-[(1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl pyridine-4-carboxylate Traditional Name voren SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C3=CC=NC=C3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C InChI Identifier InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1 InChI Key BQTXJHAJMDGOFI-NJLPOHDGSA-N 
