EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:4453 - desogestrel

Default Structure
ChEBI IDCHEBI:4453
ChEBI Namedesogestrel
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H30O
Net Charge0
Average Mass310.481
Monoisotopic Mass310.22967
SMILES[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@@]1([H])[C@@]2([H])CCC2=CCCC[C@@]21[H]
InChIInChI=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
InChIKeyRPLCPCMSCLEKRS-BPIQYHPVSA-N
Wikipedia
Roles Classification
Biological Role:
progestin  A synthetic progestogen.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
desogestrelChEBI
désogestrelChEBI
desogestrelumChEBI
Synonyms  Source
13-Ethyl-11-methylene-18,19-dinor-17α-pregn-4-en-20-yn-17-olChemIDplus
MircetteChEMBL
ORG-2969ChEMBL
Brand Names  Source
AizeaChEMBL
CerazetteDrugBank
CerelleChEMBL
Desogestrel component of bekyreeChEMBL
Desogestrel component of cyclessaChEMBL
Desogestrel component of desogenChEMBL
Manual XrefsDatabases
818DrugCentral
C07629KEGG COMPOUND
D02367KEGG DRUG
DB00304DrugBank
DE2361120Patent
DesogestrelWikipedia
LMST02030104LIPID MAPS
US3927046Patent
Registry NumbersSources
Beilstein:5094648Beilstein
CAS:54024-22-5ChemIDplus
Citations