CAS 350820-06-3

(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-2,4,16,16-d4-3,17-diol

Description:

The chemical substance known as "(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-2,4,16,16-d4-3,17-diol," with the CAS number 350820-06-3, is a synthetic steroid derivative. It is characterized by its structural modifications to the natural steroid framework, specifically the pregnane backbone. The presence of deuterium isotopes (indicated by "d4") suggests that this compound has been labeled for use in research, particularly in studies involving metabolic pathways or pharmacokinetics. The compound features a triple bond (alkyne) and multiple hydroxyl (-OH) groups, which can influence its biological activity and solubility. Its unique configuration and functional groups may contribute to its potential applications in medicinal chemistry, particularly in the development of hormonal therapies or as a research tool in endocrinology. As with many steroid derivatives, its activity may be influenced by its ability to interact with steroid receptors, making it of interest in both therapeutic and experimental contexts.

Formula: C₂₀H₂₀D₄O₂

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

InChI key: InChIKey=BFPYWIDHMRZLRN-LJEVPYBISA-N

SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=C(C(O)=C(C4)[2H])[2H])[H])[H])(CC([C@]2(C#C)O)([2H])[2H])[H]

Synonyms:

• (17α)-19-Norpregna-1,3,5(10)-trien-20-yne-2,4,16,16-d4-3,17-diol
• 19-Norpregna-1,3,5(10)-trien-20-yne-2,4,16,16-d4-3,17-diol, (17α)-

17-α-Ethynyl Estradiol-2,4,16,16-d4 (Ethinyl Estradiol-2,4,16,16-d4)

CAS: 350820-06-3

Formula: C₂₀H₂₀D₄O₂

Color and Shape: Off-White Solid

Molecular weight: 300.43

Ref: 4Z-E-094

17α-Ethynylestradiol-2,4,16,16-d4

CAS: 350820-06-3

Purity: 98 atom % D

Color and Shape: White Solid

Molecular weight: 300.43

Ref: 3U-D4319

17a-Ethinylestradiol D4 (2,4,16,16-D4)

Controlled Product

CAS: 350820-06-3

Formula: C₂₀H₄H₂₀O₂

Color and Shape: White To Light Yellow

Molecular weight: 300.43

Ref: 04-C13245105

17a-Ethinylestradiol D4 (2,4,16,16-D4) 100 µg/mL in Acetonitrile

Controlled Product

CAS: 350820-06-3

Formula: C₂₀H₄H₂₀O₂

Color and Shape: Single Solution

Molecular weight: 300.43

Ref: 04-A13245105AL-100

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

Controlled Product

CAS: 350820-06-3

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.

Formula: C₂₀₂H₄H₂₀O₂

Color and Shape: White To Light Yellow

Molecular weight: 300.43

Ref: TR-E685102