CHEBI:50777 - etonogestrel

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name etonogestrel
ChEBI ID CHEBI:50777
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H28O2
Net Charge 0
Average Mass 324.45652
Monoisotopic Mass 324.209
InChI InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
InChIKey GCKFUYQCUCGESZ-BPIQYHPVSA-N
SMILES [H][C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H]
Roles Classification
Biological Role(s): progestin
A synthetic progestogen.
Application(s): contraceptive drug
A chemical substance that prevents or reduces the probability of conception.
female contraceptive drug
A chemical substance or agent with contraceptive activity in females.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing etonogestrel (CHEBI:50777) has role contraceptive drug (CHEBI:49323)
etonogestrel (CHEBI:50777) has role female contraceptive drug (CHEBI:49324)
etonogestrel (CHEBI:50777) has role progestin (CHEBI:59826)
etonogestrel (CHEBI:50777) is a 17β-hydroxy steroid (CHEBI:35343)
etonogestrel (CHEBI:50777) is a 3-oxo Δ4-steroid (CHEBI:47909)
etonogestrel (CHEBI:50777) is a 3-oxo steroid (CHEBI:47788)
etonogestrel (CHEBI:50777) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
17α-ethynyl-17β-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one
INNs Sources
etonogestrel ChEBI
étonogestrel IUPAC
etonogestrelum ChEBI
Synonyms Sources
3-Ketodesogestrel ChemIDplus
3-Oxodesogestrel ChemIDplus
Brand Name Source
Implanon DrugBank
Database Links Databases
1110 DrugCentral
D04104 KEGG DRUG
DB00294 DrugBank
EP51762 Patent
US4371529 Patent
View more database links
Registry Numbers Types Sources
4237530 Beilstein Registry Number Beilstein
54048-10-1 CAS Registry Number ChemIDplus
Last Modified
22 February 2017