CHEBI:50815 - norgestimate

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ChEBI Name norgestimate ChEBI ID CHEBI:50815 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 C23H31NO3 Net Charge 0 Average Mass 369.49718 Monoisotopic Mass 369.23039 InChI InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1 InChIKey KIQQMECNKUGGKA-NMYWJIRASA-N SMILES [H][C@]12CCC(\C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(CC)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C)=N/O Roles Classification Biological Role(s): progestin A synthetic progestogen. Application(s): contraceptive drug A chemical substance that prevents or reduces the probability of conception. synthetic oral contraceptive An oral contraceptive which owes its effectiveness to synthetic preparation. View more via ChEBI Ontology ChEBI Ontology Outgoing norgestimate (CHEBI:50815) has role contraceptive drug (CHEBI:49323) norgestimate (CHEBI:50815) has role progestin (CHEBI:59826) norgestimate (CHEBI:50815) has role synthetic oral contraceptive (CHEBI:49326) norgestimate (CHEBI:50815) is a ketoxime (CHEBI:24983) norgestimate (CHEBI:50815) is a steroid ester (CHEBI:47880) norgestimate (CHEBI:50815) is a terminal acetylenic compound (CHEBI:73477) IUPAC Name (3E)-17α-ethynyl-3-(hydroxyimino)-18a-homoestr-4-en-17β-yl acetate INNs Sources norgestimate ChEBI norgestimato ChemIDplus norgestimatum ChemIDplus Synonyms Sources (+)-13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-4-en-20-yn-3-one oxime acetate (ester) ChemIDplus (17α)-17-(Acetyloxy)-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one 3-oxime ChemIDplus d-13β-Ethyl-17α-ethynyl-17β-acetoxygon-4-en-3-one oxime ChemIDplus Dexnorgestrel acetime ChemIDplus Manual Xrefs Databases 1968 DrugCentral D05209 KEGG DRUG DB00957 DrugBank DE2633210 Patent Norgestimate Wikipedia US4027019 Patent View more database links Registry Number Type Source 35189-28-7 CAS Registry Number ChemIDplus Last Modified 22 February 2017