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CHEBI:7627 - norethisterone

Default Structure
ChEBI IDCHEBI:7627
ChEBI Namenorethisterone
Stars
DefinitionA 17β-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.
Secondary ChEBI IDCHEBI:44349
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C
InChIInChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKeyVIKNJXKGJWUCNN-XGXHKTLJSA-N
Wikipedia
Roles Classification
Biological Role:
progestin  A synthetic progestogen.
Application:
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
ChEBI Ontology
Outgoing Relation(s)
norethisterone (CHEBI:7627) has parent hydride estrane (CHEBI:23966)
norethisterone (CHEBI:7627) has role progestin (CHEBI:59826)
norethisterone (CHEBI:7627) has role synthetic oral contraceptive (CHEBI:49326)
norethisterone (CHEBI:7627) is a 17β-hydroxy steroid (CHEBI:35343)
norethisterone (CHEBI:7627) is a 3-oxo-Δ4 steroid (CHEBI:47909)
norethisterone (CHEBI:7627) is a terminal acetylenic compound (CHEBI:73477)
norethisterone (CHEBI:7627) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
norethisterone acetate (CHEBI:7628) has functional parent norethisterone (CHEBI:7627)
IUPAC Names 
17-ethynyl-17β-hydroxyestr-4-en-3-one
(17α)-17-hydroxy-19-norpregn-4-en-20-yn-3-one
INNs  Source
norethisteroneKEGG DRUG
noréthistéroneWHO MedNet
norethisteronumChemIDplus
noretisteronaChemIDplus
Synonyms  Source
(17alpha)-17-ethynyl-17-hydroxyestra-4,8(14),9-trien-3-onePDBeChem
17-hydroxy-19-nor-17-α-pregn-4-en-20-yn-3-oneChemIDplus
17-hydroxy-19-nor-17α-pregn-4-en-20-yn-3-oneChemIDplus
17α-ethinyl-19-nortestosteroneNIST Chemistry WebBook
17α-ethinylestra-4-en-17β-ol-3-oneNIST Chemistry WebBook
17-α-ethynyl-17-hydroxy-4-estren-3-oneChemIDplus
Brand Names  Source
CamilaKEGG DRUG
ConludagChemIDplus
MicronovumChemIDplus
Mini-peChemIDplus
Mini-pillChemIDplus
NorcolutChemIDplus
Manual XrefsDatabases
1962DrugCentral
C05028KEGG COMPOUND
D00182KEGG DRUG
DB00717DrugBank
HMDB0014855HMDB
LMST02030097LIPID MAPS
NDRPDBeChem
NorethisteroneWikipedia
US2744122Patent
US2849462Patent
Registry NumbersSources
Reaxys:1915671Reaxys
CAS:68-22-4ChemIDplus
CAS:68-22-4KEGG COMPOUND
CAS:68-22-4NIST Chemistry WebBook
Citations