Estrone benzoate

Estrone benzoate, or estrone 3-benzoate, is a synthetic estrogen and estrogen ester – specifically, the C3 benzoate ester of estrone – which was first reported in 1932 and was never marketed.^[1][2][3][4] It led to the development in 1933 of the more active estradiol benzoate, the first estradiol ester to be introduced for medical use.^[5][6][7][8]

Estrone benzoate

Clinical data
Other names	Ketohydroxyestrin benzoate; Estra-1,3,5(10)-trien-3-ol-17-one 3-benzoate
Routes of administration	Intramuscular injection
Drug class	Estrogen; Estrogen ester
Identifiers
IUPAC name [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate
CAS Number	2393-53-5
PubChem CID	15818351
ChemSpider	18553608
UNII	O636LYL5W8
ChEMBL	ChEMBL1628207
CompTox Dashboard (EPA)	DTXSID00946752
Chemical and physical data
Formula	C25H26O3
Molar mass	374.480 g·mol−1
3D model (JSmol)	Interactive image
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
InChI InChI=1S/C25H26O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1 Key:HKUKRSLIEVXDMS-APDHKMKFSA-N

See also

• List of estrogen esters § Estrone esters