loading...| Preferred Name |
|
|
| Synonyms |
Exemestane 6-methylideneandrosta-1,4-diene-3,17-dione 6-methyleneandrosta-1,4-diene-3,17-dione exemestane exemestanum exemestano |
|
| Definitions |
A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4953 |
|
| charge |
0 |
|
| database_cross_reference |
SNOMEDCT:387017005 MeSH:C056516 SNOMEDCT:116115004 NCIt:C1097 CAS:107868-30-4 Wikipedia:Exemestane KEGG:D00963 Reaxys:6609645 KEGG:C08162 PMID:10882163 Drug_Central:1122 DrugBank:DB00990 |
|
| definition |
A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer. |
|
| formula |
C20H24O2 |
|
| has_exact_synonym |
Exemestane 6-methylideneandrosta-1,4-diene-3,17-dione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
6-methyleneandrosta-1,4-diene-3,17-dione exemestane exemestanum exemestano |
|
| has_role | ||
| id |
CHEBI:4953 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 |
|
| inchikey |
BFYIZQONLCFLEV-DAELLWKTSA-N |
|
| label |
exemestane |
|
| mass |
296.40340 |
|
| monoisotopicmass |
296.17763 |
|
| notation |
CHEBI:4953 |
|
| smiles |
[H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H] |
|
| subClassOf |