Diethylstilbestrol disulfate

Diethylstilbestrol disulfate (brand names Hydroestryl, Idroestril; former developmental code name M.G. 137) is a synthetic, nonsteroidal estrogen of the stilbestrol group and an ester of diethylstilbestrol (DES) that was formerly marketed but is now no longer available.^[1] It is described as an antineoplastic agent.^[2]

Diethylstilbestrol disulfate

Clinical data
Trade names	Hydroestryl, Idroestril
Other names	M.G. 137
Identifiers
IUPAC name [4-[(E)-4-(4-Sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate
CAS Number	316-23-4
PubChem CID	3034417
ChemSpider	2298875
UNII	TCG918143B
CompTox Dashboard (EPA)	DTXSID101046838
ECHA InfoCard	100.005.690
Chemical and physical data
Formula	C18H20O8S2
Molar mass	428.47 g·mol−1
3D model (JSmol)	Interactive image
SMILES CC/C(=C(/CC)\C1=CC=C(C=C1)OS(=O)(=O)O)/C2=CC=C(C=C2)OS(=O)(=O)O
InChI InChI=1S/C18H20O8S2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)/b18-17+ Key:JQFXYBUUBRTZSR-ISLYRVAYSA-N

References

1. Elks J (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. p. 396. ISBN 978-1-4757-2085-3.
2. Negwer M (1987). Organic-chemical drugs and their synonyms: (an international survey). VCH Publishers. p. 833. ISBN 978-0-89573-552-2.