CHEBI:7630 - norgestrel

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name norgestrel
ChEBI ID CHEBI:7630
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O2
Net Charge 0
Average Mass 312.44582
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3
InChIKey WWYNJERNGUHSAO-UHFFFAOYSA-N
SMILES CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
ChEBI Ontology
Outgoing norgestrel (CHEBI:7630) is a 17-hydroxy steroid (CHEBI:36838)
norgestrel (CHEBI:7630) is a 3-oxo-Δ4 steroid (CHEBI:47909)
norgestrel (CHEBI:7630) is a terminal acetylenic compound (CHEBI:73477)
Incoming dexonorgestrel (CHEBI:50900) has functional parent norgestrel (CHEBI:7630)
levonorgestrel (CHEBI:6443) has functional parent norgestrel (CHEBI:7630)
IUPAC Name
17-ethynyl-17-hydroxy-18a-homoestr-4-en-3-one
INNs Sources
norgestrel ChEBI
norgestrelum ChEBI
Synonyms Sources
LD norgestrel ChemIDplus
Methylnorethindrone ChemIDplus
Norgestrel KEGG COMPOUND
Manual Xrefs Databases
BE623844 Patent
C08153 KEGG COMPOUND
D00954 KEGG DRUG
DB00506 DrugBank
US3959322 Patent
View more database links
Registry Numbers Types Sources
4149572 Beilstein Registry Number Beilstein
6533-00-2 CAS Registry Number ChemIDplus
Last Modified
04 May 2017