Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Id http://purl.obolibrary.org/obo/CHEBI_4953
http://purl.obolibrary.org/obo/CHEBI_4953
Preferred Name

exemestane
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.
Synonyms
6-methyleneandrosta-1,4-diene-3,17-dione
exemestane
exemestanum
exemestano
Exemestane
6-methylideneandrosta-1,4-diene-3,17-dione
Type http://www.w3.org/2002/07/owl#Class

All Properties

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.
label
exemestane
prefLabel
exemestane
database_cross_reference
CAS:107868-30-4
Wikipedia:Exemestane
KEGG:D00963
Reaxys:6609645
KEGG:C08162
PMID:10882163
Drug_Central:1122
DrugBank:DB00990
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notation
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
has_related_synonym
6-methyleneandrosta-1,4-diene-3,17-dione
exemestane
exemestanum
exemestano
id
CHEBI:4953
charge
0
has_obo_namespace
chebi_ontology
formula
C20H24O2
has parent hydride
subClassOf
inchikey
BFYIZQONLCFLEV-DAELLWKTSA-N
mass
296.40340
monoisotopicmass
296.17763
type
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]
has role
has_exact_synonym
Exemestane
6-methylideneandrosta-1,4-diene-3,17-dione
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