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etonogestrel

Properties

Image

Occurences in reactions

MNX_ID

MNXM52876

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₂H₂₈O₂

charge

mass

324.20893

reference

chebi:50777

InChIKey

GCKFUYQCUCGESZ-BPIQYHPVSA-N

InChI

InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1

SMILES

C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50777 chebi:50777	etonogestrel 17alpha-ethynyl-17beta-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one 3-Ketodesogestrel 3-Oxodesogestrel Implanon etonogestrelum
kegg.drug:D04104 keggD:D04104	Etonogestrel (USAN/INN) Implanon (TN)
hmdb:HMDB0014439	Etonogestrel (1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxy-17-methylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 13-Ethyl-17-hydroxy-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one 3-Keto-desogestrel 3-Ketodesogestrel 3-Oxodesogestrel 3-oxo Desogestrel Etonogestrelum Implanon Nexplanon Nourypharma brand OF 3-keto-desogestrel Organon brand OF 3-keto-desogestrel implanon
sabiork.compound:31107 sabiorkM:31107	Etonogestrel 3-Ketodesogestrel 3-Oxodesogestrel
hmdb:HMDB14439 keggD:M_D04104	secondary/obsolete/fantasy identifier