mitotane

Ligand id: 6957

Name: mitotane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 0
Molecular weight 317.95
XLogP 6.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1970))
IUPAC Name
1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene
International Nonproprietary Names
INN number INN
2597 mitotane
Synonyms
CB-313 | Lysodren®
Database Links
CAS Registry No. 53-19-0
ChEMBL Ligand CHEMBL1670
DrugBank Ligand DB00648
PubChem CID 4211
Search Google for chemical match using the InChIKey JWBOIMRXGHLCPP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey JWBOIMRXGHLCPP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JWBOIMRXGHLCPP
Wikipedia Mitotane
Comments
The molecular mechanism underlying mitotane's clinical effects is complex and poorly understood [1].