Ethynyl Estradiol-2,4,16,16-d4

CAS: 350820-06-3

Ref. TR-E685102

Product Information

• Name: Ethynyl Estradiol-2,4,16,16-d4
• Synonyms: 19-Norpregna-1,3,5(10)-trien-20-yne-2,4,16,16-d4-3,17-diol, (17a)-, (17a)-19-Norpregna-1,3,5(10)-trien-20-yne-2,4,16,16-d4-3,17-diol, Ethinylestradiol (2,4,16,16-D4)

Description

Applications Isotope labelled Ethynyl Estradiol (E685100), an oral contraceptive (1), is a synthetic steroid with high oral estrogenic potency. Used in estrogen replacement therapy (2). 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.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References 1. Koetsawang, S. et al.: Contraception. 1982 March:25(3) p231-2412. Cuttler, L. et al.: J. Endocrinol. Metab. 1985 Jun;60(6):1087-92.

• Brand: TRC

Chemical properties

• Molecular weight: 300.43
• Formula: C₂₀H₄H₂₀O₂
• Color/Form: White To Light Yellow
• InChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1/i5D,11D2,12D
• SMILES: [2H]c1cc2c(c([2H])c1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC([2H])([2H])[C@@]2(O)C#C