Therapeutic Targets Database
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TTD Drug ID: DAP001014

Drug Information
NameMestranol
SynonymsZINC03815424; 3-Methoxy-17-alpha-ethynylestradiol; EE(sub3)ME; NSC84032; Menophase; 17-alpha-Ethinyl estradiol 3-methyl ether; 17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol; Ethinylestradiol 3-methyl ether; Prestwick1_000846; MolPort-002-507-152; 43085-54-7; 17-alpha-Ethinyl oestradiol 3-methyl ether; Ethinyloestradiol 3-methyl ether; SPBio_002752; 8027 C. B.; Ovastol; Prestwick_966; 3-Methoxy-17-ethynyloestradiol-17-beta; 8027 C. B; 17-alpha-Ethynyloestradiol methyl ether; HMS2051J22; Ethinyl Estradiol 3 Methyl Ether; LS-7485; 17-Ethynylestradiol 3-methyl ether; SMR000059128; Norquen; 3-O-Methylethynylestradiol; EINECS 200-777-8; 53445-46-8; AC-13293; EPA Pesticide Chemical Code 115401; component of Norquen; Estra-1,3,5(10)-trien-17beta-ol, 17-ethynyl-3-methoxy-; Prestwick2_000846; 17alpha-Ethinyl estradiol 3-methyl ether; Prestwick3_000846; 3-Methoxyethynylestradiol; Alpha.-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-meth; C07618; 17alpha-Ethynyloestradiol 3-methyl ether; 17alpha-Ethinylestradiol 3-methyl ether; Caswell No. 547A; Devocin; Inostral (steroid); 17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol; BIDD:ER0199; Ethinyl Estradiol 3-Methyl Ether; 3-Methoxyethynyloestradiol; NSC 84032; delta-MVE; Prestwick0_000846; CID6291; 17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol; 3-Methoxy-17alpha-ethynylestradiol; BSPBio_000831; Ethynylestradiol 3-methyl ether; SC 4725; MLS001077321; CCRIS 377; BPBio1_000915; 3-Methoxy-17-alpha-ethynyloestradiol; S2125_Selleck; CPD000059128; NCGC00093347-02; 72-33-3; 3-Methoxy-17-alpha-ethinyloestradiol; 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol; component of Ortho-Novum; Compound 33355; 3-Methoxy-17alpha-ethynyl-1,3,5(10)-estratrien-17beta-ol; 3-Methoxy-17alpha-ethynyloestradiol; AI3-51798; 17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol; 17.; CHEMBL1201151; D008656; NCGC00179410-01; 17alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; 3-Methoxy-17-alpha-ethynyl-1,3,5(10)-estratrien-17-beta-ol; 3-Methoxy-17alpha-ethinylestradiol; D00575; 17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol; HSDB 3588; 3-Methoxy-17-alpha-ethynyl-1,3,5(10)-oestratrien-17-beta-ol; 17-Ethynyloestradiol 3-methyl ether; Mestranolo; 3-Methylethynyloestradiol; BRN 2625905; Ethynylestradiol methyl ether; AC1L1M7F; UNII-B2V233XGE7; component of Norinyl; EE3ME; .delta.-MVE; 17alpha-Ethinyl oestradiol 3-methyl ether; mestranol; DB01357; BB_NC-0628; Mestranol [USAN:INN:BAN:JAN]; 17alpha-Ethynylestradiol 3-methyl ether; 855871_ALDRICH; CHEBI:6784; Mestranolo [DCIT]; 3-Methoxy-17-alpha-ethinylestradiol; MLS000028595; HMS1570J13; 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol; Mestranol (JP15/USP/INN); 17alpha-Ethynylestradiol methyl ether; Ethynyloestradiol 3-methyl ether; 3-Methoxy-17alpha-ethinyloestradiol; Mestranol [Steroidal oestrogens]; 3-Methoxy-17-alpha-19-norpregna-1,3,5(10)-trien-20-yn-17-ol; (17beta)-17-ethynyl-3-(methyloxy)estra-1,3,5(10)-trien-17-ol; 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol; 17beta-Estradiol, 17-ethynyl-, 3-(methyl ether); 3-Methoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol; 3-Methylethynylestradiol; Mestranolum; 3-Methoxy-17alpha-ethynyl-1,3,5(10)-oestratrien-17beta-ol; SAM001246866; BRD-K31920458-001-03-8; component of Ovulen; Mestranolum [INN-Latin]
IndicationFirst oral contraceptivesApproved    [1]
Structure

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InChI1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17
(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-
,19+,20+,21+/m1/s1
InChIKeyIMSSROKUHAOUJS-MJCUULBUSA-N
Canonical SMILESCC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC    
Isomeric SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
Therapeutic ClassEstrogens
CAS NumberCAS 72-33-3
FormulaC21H26O2
PubChem Compound IDCID 6291.
PubChem Substance IDSID 9820.
ChEBI6784;
TargetEstrogen receptorAgonist[2]
Ref 1FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 010976 To Reference
Ref 2Short-term effects of environmentally relevant concentrations of EDC mixtures on Mytilus galloprovincialis digestive gland. Aquat Toxicol. 2008 May 30;87(4):272-9. Epub 2008 Mar 10. To Reference



 

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