Cloxestradiol

Cloxestradiol (INNTooltip International Nonproprietary Name), also known as 17-(2,2,2-trichloroethoxy)estradiol, is a synthetic, steroidal estrogen which was never marketed.^[1] It is an analogue of estradiol with a 2,2,2-trichloroethoxy substitution.^[1] The O,O-diacetate derivative, cloxestradiol acetate (brand name Genovul), has been marketed as an estrogen.^[1]

Cloxestradiol

Clinical data
Other names	17-(2,2,2-Trichloroethoxy)estradiol; 17-(1-Hydroxy-2,2,2-trichloroethoxy)estra-1,3,5(10-trien-3-ol
Drug class	Estrogen; Estrogen ether
Identifiers
IUPAC name (8R,9S,13S,14S,17S)-13-methyl-17-(2,2,2-trichloro-1-hydroxyethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CAS Number	54063-33-1
PubChem CID	194705
ChemSpider	168924
UNII	42R9MZG1DL
CompTox Dashboard (EPA)	DTXSID701045814
Chemical and physical data
Formula	C20H25Cl3O3
Molar mass	419.77 g·mol−1
3D model (JSmol)	Interactive image
SMILES C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(C(Cl)(Cl)Cl)O)O
InChI InChI=1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18?,19+/m1/s1 Key:JVLHMVXGPLKLFV-AJUWMHLFSA-N