mitotane   

GtoPdb Ligand ID: 6957

Synonyms: CB-313 | Lysodren®
mitotane is an approved drug (FDA (1970), EMA (2004))
Compound class: Synthetic organic
Comment: The molecular mechanism underlying mitotane's clinical effects is complex and poorly understood [1].
2D Structure
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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
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl
Isomeric SMILES ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl
InChI InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChI Key JWBOIMRXGHLCPP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1970), EMA (2004))
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
DrugCentral Ligand 1820
GtoPdb PubChem SID 178103539
PubChem CID 4211
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Wikipedia Mitotane