aminoglutethimide   

GtoPdb Ligand ID: 7054

Synonyms: Cytadren®
aminoglutethimide is an approved drug (FDA (1980))
Compound class: Synthetic organic
Comment: Aminoglutethimide is an aromatase (CYP19A1) and steroid 11β-hydroxylase (CYP11A1) inhibitor.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 72.19
Molecular weight 232.12
XLogP 1.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC1(CCC(=O)NC1=O)c1ccc(cc1)N
Isomeric SMILES CCC1(CCC(=O)NC1=O)c1ccc(cc1)N
InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChI Key ROBVIMPUHSLWNV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1980))
IUPAC Name
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
International Nonproprietary Names
INN number INN
837 aminoglutethimide
Synonyms
Cytadren®
Database Links
CAS Registry No. 125-84-8
ChEMBL Ligand CHEMBL488
DrugBank Ligand DB00357
DrugCentral Ligand 164
GtoPdb PubChem SID 178103633
PubChem CID 2145
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Wikipedia Aminoglutethimide