Exemestane

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Systematic / IUPAC Name: (8R,9S,10R,13S,14S)-10,13-Dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

ID: Reference1034

Other Names: 6-Methylideneandrosta-1,4-diene-3,17-dione;
Androsta-1,4-diene-3,17-dione, 6-methylene-;
Aromasin;
Exemestance;
Aromasil ; more

Formula: C20H24O2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Exemestane mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 68
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/3/2014 3:27:14 PM
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Identificators

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
InChI Key BFYIZQONLCFLEV-DAELLWKTSA-N
Canonical SMILES CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C
CAS 107868304
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Other Names 6-Methylideneandrosta-1,4-diene-3,17-dione;
Androsta-1,4-diene-3,17-dione, 6-methylene-;
Aromasin;
Exemestance;
Aromasil;
Aromasine;
Nikidess

In Other Databases

PubChem 60198
Wikipedia Exemestane
DrugBank APRD00144
ChemIDPlus 107868304
KEGG C08162; D00963
HMDb HMDB15125
ChEBI CHEBI:4953
ChEMBL CHEMBL1200374
ChemSpider 54278