Chemistry:Hexestrol dicaprylate

Hexestrol dicaprylate
Identifiers
	IUPAC name [4-[4-(4-Octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate;
CAS Number	20305-51-5;
PubChem CID	161308;
ChemSpider	141698;
UNII	J9DFR4IT9Z;
Chemical and physical data
Formula	C34H50O4
Molar mass	522.770 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCCCCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCCCCCC;
	InChI InChI=InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3; Key:JZMCTYYCJNIOBO-UHFFFAOYSA-N;

Short description: Chemical compound

Hexestrol dicaprylate (brand name Taston), or dioctanoylhexestrol, is a synthetic, nonsteroidal estrogen of the stilbestrol group related to diethylstilbestrol that is no longer marketed.^[1]^[2] It is a long-acting^[3] ester of hexestrol.^[1]

References

↑ ^1.0 ^1.1 J. Elks (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. pp. 163–. ISBN 978-1-4757-2085-3. https://books.google.com/books?id=0vXTBwAAQBAJ&pg=PA163.
↑ World Pharmaceuticals Directory. Unlisted Drugs. 1988. https://books.google.com/books?id=AiNtAAAAMAAJ.
↑ "Inhibitory effect and its recovery in the gonadal system of adult male rats by single injection with the long-lasting reproductive inhibitor, hexestrol dicaprylate". Nippon Juigaku Zasshi 39 (4): 437–43. 1977. doi:10.1292/jvms1939.39.437. PMID 916475.

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Identifiers

IUPAC name [4-[4-(4-Octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate
CAS Number	20305-51-5
PubChem CID	161308
ChemSpider	141698
UNII	J9DFR4IT9Z
Chemical and physical data
Formula	C₃₄H₅₀O₄
Molar mass	522.770 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCCCCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCCCCCC
InChI InChI=InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3 Key:JZMCTYYCJNIOBO-UHFFFAOYSA-N