loading...| Preferred Name | desogestrel | |
| Synonyms |
desogestrelum desogestrel 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol Cerazette 17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4453 |
|
| alternative label |
desogestrelum desogestrel 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol Cerazette 17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:5094648 LIPID_MAPS_instance:LMST02030104 Patent:US3927046 DrugBank:DB00304 KEGG:D02367 Drug_Central:818 Wikipedia:Desogestrel Patent:DE2361120 KEGG:C07629 CAS:54024-22-5 |
|
| formula |
C22H30O |
|
| has role | ||
| has_exact_synonym |
17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
desogestrelum desogestrel 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol Cerazette |
|
| has_RxCUI |
22656 |
|
| id |
CHEBI:4453 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1 |
|
| inchikey |
RPLCPCMSCLEKRS-BPIQYHPVSA-N |
|
| label |
desogestrel |
|
| mass |
310.47300 |
|
| monoisotopicmass |
310.22967 |
|
| notation |
CHEBI:4453 |
|
| prefLabel |
desogestrel |
|
| smiles |
[H][C@]12CCCC=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H] |
|
| subClassOf |