| CAS Number | 213476-12-1 |
| Catalog Number | AG00BDR6(AGN-PC-0WADK6) |
| Chemical Name | Lansoprazole N-oxide |
| 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 |
| MDL Number | MFCD22380629 |
| Molecular Formula | C16H14F3N3O3S |
| Molecular Weight | 385.3609 |
| SMILES | O=S(C1=NC2=CC=CC=C2N1)CC3=C(C)C(OCC(F)(F)F)=CC=[N+]3[O-] |
| Synonyms | Lansoprazole N-oxide,
213476-12-1,
Lansoprazole EP Impurity A,
SCHEMBL13841008,
FT-0670725,
2-[(1H-Benzoimidazole-2-yl)sulfinylmethyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine 1-oxide,
2-[(RS)-[[3-Methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]sulphinyl]-1H-benzimidazole (Lansoprazole N-Oxide),
2-[[[3-Methyl-1-oxido-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole,
2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole,
UNII-51C3Z1Q9J3,
51C3Z1Q9J3,
Lansoprazole N-oxide, 98% - 100MG 100mg,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number