Terminology Service for NFDI4Health
JSON

exemestane

Go to external page http://purl.obolibrary.org/obo/CHEBI_4953

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.

Term info

Label

exemestane

Synonyms
  • 6-methylideneandrosta-1,4-diene-3,17-dione
  • Exemestane
database cross reference
Subsets

3_STAR

INN
exemestano [ ChemIDplus ]

IUPAC NAME
6-methylideneandrosta-1,4-diene-3,17-dione [ IUPAC ]

INN
exemestanum [ ChemIDplus ]

INN
exemestane [ ChemIDplus ]

charge

0

formula

C20H24O2

has obo namespace

chebi_ontology

has related synonym

exemestane, 6-methyleneandrosta-1,4-diene-3,17-dione, exemestano, exemestanum

id

CHEBI:4953

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

mass

296.40340

monoisotopicmass

296.17763

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]