loading...| Preferred Name |
desogestrel |
|
| Synonyms |
desogestrel desogestrelum (1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-17-methylidenetetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol Cerazette 17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol C22H30O 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_4453 |
|
| activates | ||
| ATCCode |
G03AC09 |
|
| CASRN |
54024-22-5 |
|
| DBBrand |
cerazette |
|
| DBname |
desogestrel |
|
| DBSynonym |
desogestrelum [inn-latin] |
|
| Definition |
A 17beta-hydroxy steroid that has formula C22H30O. |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_59826 |
|
| 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 |
InChIKey=RPLCPCMSCLEKRS-BPIQYHPVSA-N |
|
| label |
desogestrel |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_102166 http://purl.obolibrary.org/obo/CHEBI_50859 http://purl.obolibrary.org/obo/CHEBI_59594 http://purl.obolibrary.org/obo/CHEBI_6367 http://purl.obolibrary.org/obo/CHEBI_15367 |
|
| prefixIRI |
obo2:CHEBI_4453 |
|
| prefLabel |
desogestrel |
|
| SMILES |
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] [H][C@]12CCCC=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H] |
|
| Synonym |
desogestrel desogestrelum (1S,2R,10S,11S,14R,15S)-15-ethyl-14-ethynyl-17-methylidenetetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol Cerazette 17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol C22H30O 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol |
|
| xref |
ChEMBL:529174 CASRN:54024-22-5 PubChem Substance:46505739 DrugBank:DB00304 Patent:DE2361120 ChEBI:4453 ChemSpider:37400 KEGG COMPOUND:C07629 Patent:US3927046 Beilstein:5094648 PharmGKB:PA449238 KEGG DRUG:D02367 Wikipedia:http://en.wikipedia.org/wiki/Desogestrel Wikipedia:Desogestrel PubChem Compound:40973 LIPID MAPS:LMST02030104 RxList:http://www.rxlist.com/cgi/generic/desest.htm Drugs Product Database (DPD):2042533 |
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| subClassOf |