Substance

ID:1825782

Names and Identifiers
IUPAC Traditional name
ethinyl estradiol
IUPAC name
(1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Synonyms
17alpha-ethynylestradiol17-ethinyl-3,17-estradiol17-ethinyl-3,17-oestradiol17-ethinylestradiol17alpha-Ethinyl estradiol17alpha-ethynylestradiolEthinyl estradiolEthinylestradiolEthynyl estradiolethinyloestradiol
Registration numbers
PubChem CID
5991
Beilstein Number
2419975
CAS Number
57-63-6
DrugBank ID
DB00977
KEGG ID
C07534
LINCS Database
LSM-5593
LIPID MAPS Instance
LMST02010036
PubMed Citation Links
20189629
Reaxys Registry
2419975
ACToR Database
406932-93-2
CHEMBL
CHEMBL691
CompTox Database
DTXSID5020576
Protein Data Bank
4x1f4x1g
SureChEMBL Database
SCHEMBL4071
Rhea Database
RHEA:51228
HMDB Database
HMDB0001926
GeneOntology Database
GO:1904487GO:1904486
Drug Central Database
1,082
KEGG DRUG Database
D00554
VSDB Database
1,887
ArrayExpress (Gene Expression Altlas)
E-TABM-105E-TABM-12
ArrayExpress (Repository of Microarray data)
E-TOXM-20
CHEBI ID
CHEBI:4903
PubChem SID
11533305
Properties
No Data Available
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Molecule Details
A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.
Molecular Spectra
No Data Available
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References
No Data Available
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