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Name | ethinyl estradiol |
---|---|
Molecular formula | C20H24O2 |
IUPAC name | (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
Molecular weight | 296.41 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | Ethinylestradiol, 98% Chee-O-Genf Ethynyl estradiol D00554 Etinestrol Diprol [ Show all ]Etivex EE2 HMS2051I19 Estigyn Kolpolyn Estoral (VAN) Menolyn Estra-1,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl- NC00069 NCGC00254514-01 Ethinyl-Oestradiol Effik BRN 2419975 17a-Ethinyl-17b-estradiol Ortho-Cyclen 17alpha-Ethinyl estradiol (1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol Primogyn C 17alpha-Ethinylestradiol 17 alpha-Ethinylestradiol SBB066068 17alpha-Ethynylestradiol, VETRANAL(TM), analytical standard 17-alpha-ethynyl estradiol Spanestrin 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol 17-alpha-Ethynyloestradiol-17-beta to_000048 19-Norpregna-1,5(10)-trien-20-yne-3,17-diol, (17.alpha.)- 17-Ethynylestradiol Z1541638513 392-EP2272846A1 17.alpha.-Ethinyl-17.beta.-estradiol 406932-93-2 17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol AC1L1LK6 17.alpha.-Ethynylestra-1,5(10)-triene-3,17.beta.-diol Amenorone NSC10973 CCG-100819 Ethinylestradiolum [INN-Latin] component of Demulen Ethynylestradiol, Ethinyl Estradiol Desogen (Salt/Mix) Etinilestradiol [INN-Spanish] DSSTox_RID_75668 FT-0625736 EN300-119516 HSDB 3587 Eston-E Linoral Estorals Microfollin Forte Estradiol, Ethinyl NCGC00091533-05 Ethinyl Estradiol [USP] Ethinylestradiol (JP15/INN) Anovlar (Salt/Mix) Oradiol 17a-Ethynyl-17b-oestradiol OVULEN-21 17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Progynon M 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol 17-alpha-Ethinyl-17-beta-estradiol Seasonale (Salt/Mix) 17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl- 17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol ST081364 19-Nor-17.alpha.-pregna-1,5(10)-trien-20-yne-3,17-diol 17-Ethinylestradiol Triphasil (Salt/Mix) 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene 17-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol 392-EP2281816A1 17.alpha.-Ethinyl-3,3,5)-estratriene 77538-56-8 17.alpha.-Ethynyl-1,3,5(10)-oestratriene-3,17.beta.-diol Aethinyoestradiol [German] Neo-Estrone 17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol Ethinylestradiol Jenapharm CHEBI:4903 Ethinyloestradiol [Steroidal oestrogens] CS-2161 Eticyclol Diogyn E Etinoestryl EE Halodrin Ertonyl Jenapharm Brand of Ethinyl Estradiol Estoral Lynoral Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl- MLS001424011 Ethinoral NCGC00091533-09 Ethinyl estradiol, United States Pharmacopeia (USP) Reference Standard BIDD:ER0162 Organon Brand of Ethinyl Estradiol 17a-Ethynyloestradiol (17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol Perovex 17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol 1050678-65-3 Q-201076 17alpha-Ethynylestradiol, >=98% 17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol SGCUT00127 19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol 17-alpha-Ethynylestradiol-17-beta Tox21_201291 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)- 17-Ethynyl-3-17-dihydroxy-1,5-oestratriene Ylestol 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene 17.alpha.-ethinyl-.delta.(sup1,5(10))oestratriene-3,17-.beta.-diol 392-EP2374791A1 17.alpha.-ethinylestra-1,5(10)-triene-3,17.beta.-diol AB2000171 17.alpha.-Ethynyl-17.beta.-oestradiol AKOS015894925 Novestrol 17.alpha.-Ethynyloestradiol-17.beta. Ethinylestradiol, European Pharmacopoeia (EP) Reference Standard ethynyl-estradiol D06NXY Etinestryl DSSTox_CID_576 Feminone Effik Brand of Ethinyl Estradiol HMS2235J09 Estinyl KS-5257 Estoral [Orion] MFCD00003690 Estra-1,5[10]-triene-3,17.beta.-diol, 17-ethynyl- NCGC00091533-01 Ethinyl estradiol (USP) NCGC00258843-01 Ethinyl-oestranol C07534 17a-Ethinylestradiol Ortho-Cyclen (Salt/Mix) 17alpha-Ethinyl-1,3,5(10)-estratriene-3,17-diol (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2(7),3,5-triene-5,14-diol Primogyn M 17alpha-Ethinylestradiol-17beta 17 alpha-Ethynylestradiol SCHEMBL4071 17alpha-Ethynyloestradiol 17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol SR-01000721903 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17.beta.-diol 17-Ethinyl-3,17-estradiol TRANSGENIC MODEL EVALUATION (ETHINYL ESTRADIOL) 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene 17-Ethynylestradiol ram ZINC3812897 392-EP2275422A1 17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene 423D2T571U 17.alpha.-ethinyloestra-1,5(10)-triene-3,17.beta.-diol Aethinyloestradiolum 17.alpha.-Ethynylestradiol AN-14224 Opera_ID_1808 CCRIS 286 Ethinylestriol component of Oracon Ethynyloestradiol Dicromil Etinilestradiolo DTXSID5020576 Ginestrene ENDOCRINE DISRUPTOR (ETHINYL ESTRADIOL) (SEE ALSO ETHINYL ESTRADIOL (57-63-6)) HY-B0216 Estopherol LMST02010036 Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl- MLS000028479 Estradiol, Ethynyl NCGC00091533-07 Ethinyl Estradiol, (8 alpha)-Isomer Ethinylestradiol (JP17/INN) BDBM50187243 Orestralyn 17a-Ethynylestradiol (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol OVULEN-28 17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Prosexol 17alpha-Ethynylestra-1,3,5(10)-triene-3,17beta-diol 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene Seasonique (Salt/Mix) 19-Nor-1,3,5(10),17alpha-pregnatrien-20-yne-3,17-diol 17-alpha-Ethynyl-17-beta-oestradiol Tox21_111147 19-Nor-17.alpha.-pregna-1,5[10]-trien-20-yne-3,17-diol 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene UNII-423D2T571U 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene 17-Ethynyloestradiol 392-EP2308866A1 17.alpha.-ethinyl-3,3,5)oestratriene AB00441335-11 17.alpha.-Ethynyl-1,5-estratriene-3,17.beta.-diol AI3-52941 Nogest-S 17.alpha.-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol Ethinylestradiol [INN:BAN:JAN] Chee-O-Gen Ethy 11 Cyclosa Eticylol Diogyn-E Etistradiol EE(sub 2) Hemihydrate, Ethinyl Estradiol Esteed Jenapharm, Ethinylestradiol Estoral (Orion) MCULE-5991854877 Estra-1,5(10)-triene-3,17.beta.-diol, 17-ethynyl- MolPort-001-794-636 Ethinyl E2 NCGC00091533-10 Ethinyl Oestradiol Effik BRD-K48195008-001-19-9 17.beta.-Estradiol, 17-ethynyl- Ortho Evra (Salt/Mix) 17a-Ethynyloestradiol-17b (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol Primogyn 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol 17 alpha-ethinyestradiol s1625 17alpha-Ethynylestradiol, >=98.0% (HPLC) 17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol SMR000058319 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yn-3,17-diol 17-alpha-Ethynylestradiol-l7-beta Tox21_300413 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)- 17-Ethynylestra-1,3,5(10)-triene-3,17beta-diol Ylestrol 392-EP2270017A1 17.alpha.-Ethinyl-1,3,5(10)-estratriene-3,17-diol 3WF 17.alpha.-Ethinylestradiol AC-2169 17.alpha.-Ethynylestra-1,3,5(10)-triene-3,17.beta.-diol Amenoron NSC-10973 CAS-57-63-6 Ethinylestradiolum CHEMBL691 Ethynylestradiol DB00977 Etinilestradiol DSSTox_GSID_20576 Follicoral EINECS 200-342-2 HMS3715J09 Estinyl (TN) Levlen (Salt/Mix) Estoral {[Orion]} Microfollin Estradiol, 17-ethynyl- NCGC00091533-04 Ethinyl Estradiol Hemihydrate ETHINYLESTRADIOL Oracon (Salt/Mix) 17a-Ethinylestradiol 100 microg/mL in Acetonitrile Ortrel (Salt/Mix) 17alpha-Ethinyl-17beta-estradiol (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-triene-5,14-diol Progynon C 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol 17 alpha-Ethynyloestradiol Schering Brand of Ethinyl Estradiol 17alpha-Ethynyloestradiol-17beta 17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol SR-01000721903-3 19-nor-17.alpha.-Pregna-1,5(10)-trien-2-yne-3,17-diol 17-Ethinyl-3,17-oestradiol Tri-Levlen (Salt/Mix) 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-oestratriene 17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol 392-EP2277622A1 17.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene 57-63-6 17.alpha.-Ethynyl-1,3,5(10)-estratriene-3,17.beta.-diol Aethinyoestradiol NCI60_000234 17.alpha.-Ethynylestradiol-l7.beta. Anovlar Certostat Ethinyloestradiol component of Ortrel Eticyclin Diognat-E Etinilestradiolo [DCIT] Dyloform GTPL7071 EO Inestra Estopherol (Salt/Mix) LS-231 Estra-1,3,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl- MLS000758274 Ethidol NCGC00091533-08 Ethinyl Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material Ethinylestradiol for system suitability, European Pharmacopoeia (EP) Reference Standard BFPYWIDHMRZLRN-SLHNCBLASA-N Orestrayln 17a-Ethynylestradiol-l7b (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol Palonyl 17alpha-ethinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol 003E690 PUBERTAL ETHINYL ESTRADIOL STUDY 17alpha-Ethynylestradiol 17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol Secrovin (Salt/Mix) 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol 17-alpha-Ethynylestradiol Tox21_111147_1 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene WLN: L E5 B666TTT&J E1 FQ F1UU1 OQ 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene 17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta. -diol 392-EP2372017A1 17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-diol AB00441335_12 17.alpha.-Ethynyl-1,5-oestratriene-3,17.beta.-diol AJ-45681 Nordette (Salt/Mix) 17.alpha.-Ethynyloestradiol |
Inchi Key | BFPYWIDHMRZLRN-SLHNCBLASA-N |
Inchi ID | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
PubChem CID | 5991 |
ChEMBL | CHEMBL691 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
22525 | 5-hydroxytryptamine receptor 4 | O70528 | HTR4 | Cavia porcellus (Guinea pig) | 388 |
22523 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
442538 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
22526 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
22524 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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