EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4453 - desogestrel

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:
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
contraceptive drug  A chemical substance that prevents or reduces the probability of conception.
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
desogestrelumChEBI
désogestrelChEBI
Synonym  Source
13-Ethyl-11-methylene-18,19-dinor-17α-pregn-4-en-20-yn-17-olChemIDplus
Brand Name  Source
CerazetteDrugBank
Manual XrefsDatabases
C07629KEGG COMPOUND
DB00304DrugBank
D02367KEGG DRUG
DE2361120Patent
US3927046Patent
LMST02030104LIPID MAPS
DesogestrelWikipedia
818DrugCentral
Registry NumbersSources
Beilstein:5094648Beilstein
CAS:54024-22-5ChemIDplus