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Chemical structure of Estradiol benzoate-d3

GC69084

Estradiol benzoate-d3

Also known as [(8R,9S,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] benzoate

Estradiol benzoate-d3 is the deuterated form of estradiol benzoate· Estradiol Benzoate (β-Estradiol 3-benzoate) is a precursor active molecule of estradiol, which is a type of steroid hormone· Estradiol Benzoate exhibits slight synthetic metabolic properties and increases blood clotting

ChemicalCAS1192354-74-7MW379.51FormulaC25H25D3O3
CAS number
1192354-74-7
Molecular weight
379.51
Formula
C25H25D3O3
InChIKey
UYIFTLBWAOGQBI-VTAKYRPZSA-N
Catalogue number
GC69084
Brand
GLPBIO
Computed properties PubChem CID 131868709 · XLogP 4.5 · TPSA 46.5 Ų · H-bond donors 1
XLogP
4.5
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28

SMILES [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C)O

Computed descriptors from PubChem (CID 131868709), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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