Home Other Building Blocks Lansoprazole N-Oxide

Lansoprazole N-Oxide

CAS No.:
213476-12-1
Catalog Number:
AG00BDR6
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BDR6
Chemical Name:
Lansoprazole N-Oxide
CAS Number:
213476-12-1
MDL Number:
MFCD22380629
IUPAC Name:
2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole
InChI:
InChI=1S/C16H14F3N3O3S/c1-10-13(22(23)7-6-14(10)25-9-16(17,18)19)8-26(24)15-20-11-4-2-3-5-12(11)21-15/h2-7H,8-9H2,1H3,(H,20,21)
InChI Key:
OBGHBYDDJGHGNS-UHFFFAOYSA-N
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.071g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
385.361g/mol
Monoisotopic Mass:
385.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties