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Mitotan

CAT: 1410-M14892-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M14892-03Size:100 mg
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Description
Mitotane (2,4′ -DDD), an isomer of DDD and derivative of DDT, is an antineoplastic medication used in the treatment of adrenocortical carcinoma.
CAS Number
53-19-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
320.04
Molecular Formula
C14H10Cl4
Notes
Research use only, not for human use.
Receptor
Adrenodoxin

Chemical Information

Mitotane

Mitotane is a diarylmethane.

CAS Number53-19-0
PubChem CID4211
IUPAC Name1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
Molecular FormulaC14H10Cl4
Molecular Weight320.0
XLogP6.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity248
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)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
InChIKey
JWBOIMRXGHLCPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mitotane
CAS: 53-19-0
CID: 4211
Formula: C14H10Cl4
MW: 320.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight320.0
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass319.950711
Monoisotopic Mass317.953661
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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