loading...| Preferred Name |
Etonogestrel |
|
| Synonyms |
17alpha-ethynyl-17beta-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one etonogestrel 3-Ketodesogestrel 3-Oxodesogestrel etonogestrelum Implanon |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50777 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US4371529 Patent:EP51762 Drug_Central:1110 CAS:54048-10-1 DrugBank:DB00294 KEGG:D04104 Beilstein:4237530 |
|
| formula |
C22H28O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_59826 |
|
| has_exact_synonym |
17alpha-ethynyl-17beta-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
etonogestrel 3-Ketodesogestrel 3-Oxodesogestrel etonogestrelum Implanon |
|
| has_RxCUI |
14584 |
|
| id |
CHEBI:50777 |
|
| in_subset | ||
| 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 |
|
| inchikey |
GCKFUYQCUCGESZ-BPIQYHPVSA-N |
|
| label |
etonogestrel Etonogestrel |
|
| mass |
324.45652 |
|
| monoisotopicmass |
324.20893 |
|
| notation |
CHEBI:50777 |
|
| prefixIRI |
CHEBI:50777 |
|
| prefLabel |
Etonogestrel |
|
| smiles |
[H][C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H] |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_73477 |