mitotane   Click here for help

GtoPdb Ligand ID: 6957

Synonyms: CB-313 | Lysodren®
Approved drug
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].
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1970), EMA (2004))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2597 mitotane
Synonyms Click here for help
CB-313 | Lysodren®
Database Links Click here for help
CAS Registry No. 53-19-0
ChEMBL Ligand CHEMBL1670
DrugBank Ligand DB00648
DrugCentral Ligand 1820
GtoPdb PubChem SID 178103539
PubChem CID 4211
Search Google for chemical match using the InChIKey JWBOIMRXGHLCPP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey JWBOIMRXGHLCPP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JWBOIMRXGHLCPP-UHFFFAOYSA-N
Wikipedia Mitotane