Chelist Moleculee
JRC CODE:JRC-000049
cas:57-63-6
einecs:200-342-2
smiles:[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
name:Ethinylestradiol
MW:296.4034
formula:C20H24O2
InChi:
InChiKey:
SMARTS:
Other names
19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)-
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol (6CI,7CI,8CI)
17-Ethinyl-3,17-estradiol
17-Ethinylestradiol
17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene
17-Ethynylestra-1,3,5(10)-triene-3,17β-diol
17-Ethynylestradiol
17-Nor-17α-pregna-1,3,5-(10)-trien-20-yne-3,17-diol
17α-Ethinyl-1,3,5(10)-estratriene-3,17-diol
17α-Ethinyl-17β-estradiol
17α-Ethinyl-3,17-dihydroxy-Δ1,3,5-estratriene
17α-Ethinylestra-1,3,5(10)-triene-3,17β-diol
17α-Ethinylestradiol
17α-Ethynylestra-1,3,5(10)-triene-3,17β-diol
17α-Ethynylestra-3,17β-diol
17α-Ethynylestradiol
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17β-diol
Acetylene estradiol
Amenoron
Chee-O-Gen
Chee-O-Genf
Diogyn E
Dyloform
Esteed
Estigyn
Estinyl
Eston-E
Estoral
Estorals
Estradiol, 17-ethynyl-
Ethidol
Ethinoral
Ethinylestradiol
Ethinyloestradiol
Ethynylestradiol
Ethynyloestradiol
Eticyclin
Eticyclol
Etinestrol
Etinestryl
Etinoestryl
Etistradiol
Follicoral
Ginestrene
Gynofen
Inestra
Linoral
Lynoral
Menolyn
Microfollin
NSC 10973
Novestrol
Novinet
Oradiol
Orestralyn
Palonyl
Perovex
Primogyn
Primogyn C
Primogyn M
Progynon C
Prosexol
Spanestrin
neo-Estrone

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)