Etamestrol

Etamestrol
Identifiers
	IUPAC name [(7R,8S,9S,13S,14S,17R)-1-benzoyloxy-17-ethynyl-17-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate;
CAS Number	73764-72-4;
PubChem CID	208935;
ChemSpider	181030;
UNII	VM88TV4OS5;
ChEMBL	ChEMBL2106046;
CompTox Dashboard (EPA)	DTXSID70994669 ;
Chemical and physical data
Formula	C35H34O5
Molar mass	534.652 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1CC2=CC(=CC(=C2C3C1C4CCC(C4(CC3)C)(C#C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6;
	InChI InChI=1S/C35H34O5/c1-4-35(38)18-16-28-30-22(2)19-25-20-26(39-32(36)23-11-7-5-8-12-23)21-29(31(25)27(30)15-17-34(28,35)3)40-33(37)24-13-9-6-10-14-24/h1,5-14,20-22,27-28,30,38H,15-19H2,2-3H3/t22-,27+,28+,30-,34+,35+/m1/s1; Key:FMEKKTLRKMEQKJ-RCJJHWPHSA-N;

Etamestrol (INN) (developmental code name ZK-77992), or eptamestrol, also known as 7α-methyl-19-nor-17α-pregna-1,3,5(10)-trien-20-yne-1,3,17-triol 1,3-dibenzoate, is a synthetic, steroidal estrogen described as an ovulation inhibitor (or hormonal contraceptive) that was synthesized in 1979 but was never marketed.^[1]

References

^ Elks J (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. pp. 504–. ISBN 978-1-4757-2085-3.

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[Elks2014-1] Elks J (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. pp. 504–. ISBN 978-1-4757-2085-3.

[1]

Identifiers

IUPAC name [(7R,8S,9S,13S,14S,17R)-1-benzoyloxy-17-ethynyl-17-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate
CAS Number	73764-72-4
PubChem CID	208935
ChemSpider	181030
UNII	VM88TV4OS5
ChEMBL	ChEMBL2106046
CompTox Dashboard (EPA)	DTXSID70994669
Chemical and physical data
Formula	C₃₅H₃₄O₅
Molar mass	534.652 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1CC2=CC(=CC(=C2C3C1C4CCC(C4(CC3)C)(C#C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI InChI=1S/C35H34O5/c1-4-35(38)18-16-28-30-22(2)19-25-20-26(39-32(36)23-11-7-5-8-12-23)21-29(31(25)27(30)15-17-34(28,35)3)40-33(37)24-13-9-6-10-14-24/h1,5-14,20-22,27-28,30,38H,15-19H2,2-3H3/t22-,27+,28+,30-,34+,35+/m1/s1 Key:FMEKKTLRKMEQKJ-RCJJHWPHSA-N