CAS 1093230-99-9

3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one

Description:

3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one is a synthetic derivative of estrone, a naturally occurring estrogen. This compound is characterized by the presence of a methoxy group that has been deuterated, which means that hydrogen atoms in the methoxy group are replaced with deuterium isotopes. This modification can be useful in research applications, particularly in studies involving metabolic pathways or pharmacokinetics, as the deuterated form can be tracked more easily in biological systems. The structure of this compound features a steroid backbone typical of estrogens, with a conjugated diene system that contributes to its biological activity. The presence of the ketone functional group at the 17-position is significant for its hormonal activity. Overall, 3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one serves as a valuable tool in biochemical research, particularly in the study of estrogenic activity and its effects on various physiological processes.

Formula: C₁₉H₂₁D₃O₂

InChI: InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1/i2D3

InChI key: InChIKey=BCWWDWHFBMPLFQ-YIJAEARJSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC([2H])([2H])[2H])=CC4)(CC1)[H])[H])(CCC2=O)[H]

Synonyms:

• 3-(Methoxy-d3)estra-1,3,5(10)-trien-17-one
• Estra-1,3,5(10)-trien-17-one, 3-(methoxy-d3)-

3-O-Methyl Estrone-D3

Controlled Product

CAS: 1093230-99-9

Formula: C₁₉₂H₃H₂₁O₂

Color and Shape: Neat

Molecular weight: 287.411

Ref: TR-M304713