Estetrol-d4

For research use only. Not for therapeutic Use.

  • CAT Number: I045069
  • Molecular Formula: C18H20D4O4
  • Molecular Weight: 308.41
  • Purity: ≥95%
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Estetrol-d4(Cat No.:I045069)is a deuterium-labeled form of estetrol, a naturally occurring fetal estrogen with selective estrogen receptor modulator (SERM)-like properties. The incorporation of four deuterium atoms allows for enhanced stability and precise quantification in pharmacokinetic and metabolic studies using mass spectrometry. Estetrol binds to estrogen receptors, exerting tissue-selective effects—promoting beneficial estrogenic actions in bone and the cardiovascular system while minimizing stimulation of breast and endometrial tissues. Estetrol-d4 is primarily used as an internal standard in analytical research to support the development and monitoring of estetrol-based therapies for contraception and hormone replacement.


Synonyms

(8R,9S,13S,14S,15R,16R,17R)-6,6,7,7-tetradeuterio-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol

Molecular Formula C18H20D4O4
Purity ≥95%
IUPAC Name (8R,9S,13S,14S,15R,16R,17R)-6,6,7,7-tetradeuterio-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
InChI InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1/i2D2,4D2
InChIKey AJIPIJNNOJSSQC-IOFFDVNPSA-N
SMILES [2H]C1([C@@H]2[C@H](CC[C@]3([C@H]2[C@H]([C@H]([C@@H]3O)O)O)C)C4=C(C1([2H])[2H])C=C(C=C4)O)[2H]
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