Estradiol salicylate

Estradiol salicylate, or estradiol 3-salicylate, is a synthetic estrogen and estrogen ester – specifically, the C3 salicylic acid ester of estradiol – which was described in the late 1980s and was never marketed.[1] It is a metabolite of estradiol acetylsalicylate, which appears to be very rapidly hydrolyzed into estradiol salicylate.[1]

Estradiol salicylate

Clinical data
Other names	Estradiol 3-salicylate
Routes of administration	By mouth[1]
Drug class	Estrogen; Estrogen ester
Identifiers
IUPAC name [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxybenzoate
CAS Number	113844-57-8 Y
PubChem CID	188828
ChemSpider	164094
UNII	MBQ1MW0VST
Chemical and physical data
Formula	C25H28O4
Molar mass	392.495 g·mol−1
3D model (JSmol)	Interactive image
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5O
InChI InChI=1S/C25H28O4/c1-25-13-12-18-17-9-7-16(29-24(28)20-4-2-3-5-22(20)26)14-15(17)6-8-19(18)21(25)10-11-23(25)27/h2-5,7,9,14,18-19,21,23,26-27H,6,8,10-13H2,1H3/t18-,19-,21+,23+,25+/m1/s1 Key:NPJMHIGAIIRVGT-CWWQDXLCSA-N