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etonogestrel

MNXM819770 is deprecated and replaced by MNXM52876
PropertiesImage
MNX_IDMNXM52876 Image of MNXM52876
referencechebi:50777
formulaC22H28O2
global charge0
mol weight324.464
InChIKeyGCKFUYQCUCGESZ-BPIQYHPVSA-N
InChIInChI=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
SMILESC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM52876
SMILES (mnx)[CH3:1][CH2:4][C@:21]12[CH2:13][C:14](=[CH2:3])[C@@H:20]3[C@H:17]4[CH2:9][CH2:7][C:16](=[O:23])[CH:12]=[C:15]4[CH2:6][CH2:8][C@H:18]3[C@@H:19]1[CH2:10][CH2:11][C@:22]2([C:5]#[CH:2])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50777
chebi:50777
GCKFUYQCUCGESZ-BPIQYHPVSA-N 		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
GCKFUYQCUCGESZ-BPIQYHPVSA-N 		Etonogestrel (USAN/INN)
Implanon (TN)
Nexplanon (TN)
hmdb:HMDB0014439
GCKFUYQCUCGESZ-BPIQYHPVSA-N 		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
GCKFUYQCUCGESZ-BPIQYHPVSA-N 		Etonogestrel
3-Ketodesogestrel
3-Oxodesogestrel

hmdb:HMDB14439
keggD:M_D04104 		secondary/obsolete/fantasy identifier