CHEBI:4453 - desogestrel

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ChEBI Name desogestrel
ChEBI ID CHEBI:4453
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H30O
Net Charge 0
Average Mass 310.47300
Monoisotopic Mass 310.230
InChI InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
InChIKey RPLCPCMSCLEKRS-BPIQYHPVSA-N
SMILES [H][C@]12CCCC=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.
synthetic oral contraceptive
An oral contraceptive which owes its effectiveness to synthetic preparation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing desogestrel (CHEBI:4453) has role contraceptive drug (CHEBI:49323)
desogestrel (CHEBI:4453) has role progestin (CHEBI:59826)
desogestrel (CHEBI:4453) has role synthetic oral contraceptive (CHEBI:49326)
desogestrel (CHEBI:4453) is a 17β-hydroxy steroid (CHEBI:35343)
desogestrel (CHEBI:4453) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
17α-ethynyl-11-methylidene-18a-homo-estr-4-en-17β-ol
INNs Sources
désogestrel ChEBI
desogestrel ChEBI
desogestrelum ChEBI
Synonym Source
13-Ethyl-11-methylene-18,19-dinor-17α-pregn-4-en-20-yn-17-ol ChemIDplus
Brand Name Source
Cerazette DrugBank
Manual Xrefs Databases
818 DrugCentral
C07629 KEGG COMPOUND
D02367 KEGG DRUG
DB00304 DrugBank
DE2361120 Patent
Desogestrel Wikipedia
LMST02030104 LIPID MAPS
US3927046 Patent
View more database links
Registry Numbers Types Sources
5094648 Beilstein Registry Number Beilstein
54024-22-5 CAS Registry Number ChemIDplus
Last Modified
22 February 2017