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697299-82-4,MFCD30720442
Catalog No.:AA00FDKU

697299-82-4 | N-De[2-(Methylsulfonyl)ethyl] Lapatinib

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  • Technical Information
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Technical Information
Catalog Number:
AA00FDKU
Chemical Name:
N-De[2-(Methylsulfonyl)ethyl] Lapatinib
CAS Number:
697299-82-4
Molecular Formula:
C26H20ClFN4O2
Molecular Weight:
474.9140
MDL Number:
MFCD30720442
SMILES:
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CN)Cl
Properties
Computed Properties
 
Complexity:
648  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
5.2  

Literature

Title: Human metabolism of lapatinib, a dual kinase inhibitor: implications for hepatotoxicity.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120101

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SDS
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