CHEBI:34749 - ethisterone

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ChEBI Name ethisterone ChEBI ID CHEBI:34749 Definition A 17β-hydroxy steroid that is testosterone in which the 17β hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C21H28O2 Net Charge 0 Average Mass 312.44580 Monoisotopic Mass 312.20893 InChI InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 InChIKey CHNXZKVNWQUJIB-CEGNMAFCSA-N SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C Roles Classification Biological Role(s): progestin A synthetic progestogen. drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing ethisterone (CHEBI:34749) has functional parent testosterone (CHEBI:17347) ethisterone (CHEBI:34749) has role drug metabolite (CHEBI:49103) ethisterone (CHEBI:34749) has role progestin (CHEBI:59826) ethisterone (CHEBI:34749) is a 17β-hydroxy steroid (CHEBI:35343) ethisterone (CHEBI:34749) is a 3-oxo-Δ4 steroid (CHEBI:47909) ethisterone (CHEBI:34749) is a terminal acetylenic compound (CHEBI:73477) ethisterone (CHEBI:34749) is a tertiary alcohol (CHEBI:26878) IUPAC Name (17α)-17-hydroxypregn-4-en-20-yn-3-one INNs Sources ethisterone WHO MedNet ethistérone WHO MedNet ethisteronum WHO MedNet etisterona WHO MedNet Synonyms Sources 17-β-hydroxy-17-α-ethynyl-4-androsten-3-one NIST Chemistry WebBook 17-ethynyl-17β-hydroxyandrost-4-en-3-one NIST Chemistry WebBook 17-hydroxy-17α-pregn-4-en-20-yn-3-one NIST Chemistry WebBook 17α-ethinyltestosterone ChemIDplus 17α-ethynyl-17β-hydroxyandrost-4-en-3-one NIST Chemistry WebBook 17α-ethynyltestosterone ChemIDplus aethisteron ChemIDplus aethisteronum ChemIDplus anhydrohydroxyprogesterone ChemIDplus anhydroxyprogesterone ChemIDplus ethynyltestosterone ChemIDplus Brand Names Sources Lutocylol ChemIDplus Nugestoral ChemIDplus Ora-Lutin ChemIDplus Pranone ChemIDplus Prodroxan NIST Chemistry WebBook Produxan NIST Chemistry WebBook Progestab NIST Chemistry WebBook Progestoral ChemIDplus Syngestrotabs ChemIDplus Trosinone ChemIDplus Manual Xrefs Databases 1084 DrugCentral C14487 KEGG COMPOUND Ethisterone Wikipedia HMDB0060580 HMDB View more database links Registry Numbers Types Sources 1889895 Reaxys Registry Number Reaxys 434-03-7 CAS Registry Number KEGG COMPOUND 434-03-7 CAS Registry Number NIST Chemistry WebBook 434-03-7 CAS Registry Number ChemIDplus Citations Types Sources 13494335 PubMed citation Europe PMC 374128 PubMed citation Europe PMC 8327560 PubMed citation Europe PMC Last Modified 22 February 2017