C18H22O2
274.4 g/mol
Research ReagentDanger
Estrone-2,4,16,16-d4
CAS53866-34-5EC685-780-6
Category
Research Reagent
Compound Class
Steroid
Primary Use
Research Compound
Estrone-2,4,16,16-d4 is a stable isotope labeled research reagent, specifically a deuterated form of estrone where four hydrogen atoms are replaced with deuterium. It is primarily used as an internal standard in analytical chemistry for the quantification of estrone via mass spectrometry.
Internal standard for mass spectrometry analysisStable isotope labeled tracer in metabolic studies
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
SimilarStructure SimilarSimilarity 0.73
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Safety Reference
Danger
H350May cause cancer
H360May damage fertility or the unborn child
Customs Tariff Classification
The international HS code for Estrone-2,4,16,16-d4 (CAS 53866-34-5) is 2845.90.
HS code (international, 6-digit)
2845.90
EU CN code (8-digit)
2845 90 10
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
InChIKey
DNXHEGUUPJUMQT-QSPUTOQOSA-N
SMILES
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1O)[2H]
Synonyms (11)
- Estrone-d4 (Estriol EP Impurity B-d4)
- ESTRONE (2,4,16,16-D4, 97%)
- Estrone D4 (2,4,16,16-D4)
- Estrone-2,4,16,16-d4
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