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CHEBI:70708 - dienogest

ChEBI IDCHEBI:70708
ChEBI Namedienogest
Stars
DefinitionA steroid hormone that is 17β-hydroxy-3-oxoestra-4,9-diene substituted at position 17 by a cyanomethyl group. Used as an oral contraceptive.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H25NO2
Net Charge0
Average Mass311.425
Monoisotopic Mass311.18853
SMILES[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKeyAZFLJNIPTRTECV-FUMNGEBKSA-N
Wikipedia
Roles Classification
Biological Roles:
progestin  A synthetic progestogen.
progesterone receptor agonist  A hormone agonist that binds to and activates progesterone receptors.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Applications:
progesterone receptor agonist  A hormone agonist that binds to and activates progesterone receptors.
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
ChEBI Ontology
Outgoing Relation(s)
dienogest (CHEBI:70708) has parent hydride estrane (CHEBI:23966)
dienogest (CHEBI:70708) has role progesterone receptor agonist (CHEBI:70709)
dienogest (CHEBI:70708) has role progestin (CHEBI:59826)
dienogest (CHEBI:70708) has role synthetic oral contraceptive (CHEBI:49326)
dienogest (CHEBI:70708) is a 17β-hydroxy steroid (CHEBI:35343)
dienogest (CHEBI:70708) is a 3-oxo-Δ4 steroid (CHEBI:47909)
dienogest (CHEBI:70708) is a aliphatic nitrile (CHEBI:80291)
dienogest (CHEBI:70708) is a steroid hormone (CHEBI:26764)
IUPAC Name 
[(17β)-17-hydroxy-3-oxoestra-4,9-dien-17-yl]acetonitrile
INNs  Source
dienogestKEGG DRUG
diénogestWHO MedNet
dienogestumWHO MedNet
dienogestWHO MedNet
Synonyms  Source
17alpha-Cyanomethyl-17beta-hydroxyestra-4,9(10)-dien-3-oneChemIDplus
(17-hydroxy-3-oxoestra-4,9-dien-17β-yl)acetonitrileChEBI
Manual XrefsDatabases
D03799KEGG DRUG
EP1935898Patent
US2010298585Patent
WO2011132045Patent
US2008214512Patent
US6670350Patent
WO2008116890Patent
DienogestWikipedia
871DrugCentral
Registry NumbersSources
Reaxys:5763925Reaxys
CAS:65928-58-7KEGG DRUG
CAS:65928-58-7ChemIDplus
Citations