Equilin

CAS: 474-86-2

Ref. TR-E592800

Product Information

• Name: Equilin
• Synonyms: 1,3,5,7-Estratetraen-3-ol-17-one, 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one, 7-Dehydroestrone, NSC 10971, Estrogens conjugated Impurity J, (9Xi,14Xi)-3-Hydroxyestra-1,3,5(10),7-Tetraen-17-One, 3-Hydroxyestra-1,3,5(10),7-Tetraen-17-One, 3-Hydroxyoestra-1,3,5(10),7-Tetraen-17-One, Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-
• CAS: 474-86-2

Description

Applications Equilin is an estrogen found in Premarin, which is a mixture of conjugated estrogens widely used in hormone replacement therapy and effecting cellular network structure (1). It may induce mammary tumors in rats (2). Implicated in drugs that shift energy metabolism from mitochondrial respiration to glycolysis (3). Estrogen derivative (4).This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
References 1. Fliri, A. et al.: J. Med. Chem. 2009 Dec 24;52(24):8038-46.2. Okamoto Y. et al.: Toxicol. Lett. 2010 Apr 1;193(3):224-8.3. Gohil, V. et al.: Nat. Biotechnol. 2010 Mar;28(3):249-554. Suri, R. et al.: Environ. Sci. Technol. 2010 Feb 15;44(4):1

• Brand: TRC

Chemical properties

• Molecular weight: 268.35
• Formula: C₁₈H₂₀O₂
• Color/Form: Neat
• InChI: InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
• InChI key: InChIKey=WKRLQDKEXYKHJB-HFTRVMKXSA-N
• SMILES: C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O