| CAS Number | 102804-82-0 |
| Catalog Number | AG008WUO(AGN-PC-0NATQQ) |
| Chemical Name | 4-Desmethoxypropoxyl-4-methoxy S-Deoxo Rabeprazole |
| IUPAC Name | 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole |
| InChI | InChI=1S/C15H15N3OS/c1-10-13(16-8-7-14(10)19-2)9-20-15-17-11-5-3-4-6-12(11)18-15/h3-8H,9H2,1-2H3,(H,17,18) |
| InChI Key | HZNKDLUKNUEOOX-UHFFFAOYSA-N |
| MDL Number | MFCD08274753 |
| Molecular Formula | C15H15N3OS |
| Molecular Weight | 285.3641 |
| SMILES | COC1=C(C(=NC=C1)CSC1=NC2=C(N1)C=CC=C2)C |
| UNII | ZSW7NEY2NI |
| Synonyms | 102804-82-0,
UNII-ZSW7NEY2NI,
ZSW7NEY2NI,
4-Desmethoxypropoxyl-4-methoxy S-Deoxo Rabeprazole,
2-[(4-METHOXY-3-METHYL-2-PYRIDINYL)-METHYLTHIO]-BENZIMIDAZOLE,
HZNKDLUKNUEOOX-UHFFFAOYSA-N,
CHEMBL50978,
SCHEMBL2985096,
Rabeprazole sodium impurity G [EP],
ZINC29474868,
4-Desmethoxypropoxyl-4-methoxy rabeprazole thioether,
2-[(4-methoxy-3-methyl-2-pyridyl) methylthio]benzimidazole,
2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-benzimidazole,
2-[(4-methoxy-3-methylpyridin-2-yl)-methylthio]-1H-benzimidazole,
2-[[(3-Methyl-4-methoxy-2-pyridyl)methyl]thio]-1H-benzimidazole,
1H-Benzimidazole, 2-(((4-methoxy-3-methyl-2-pyridinyl)methyl)thio)-,
2-(((4-Methoxy-3-methylpyridin-2-yl)methyl)sulfanyl)-1H-benzimidazole,
CID10803067,
2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-1H-benzoimidazole,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.365g/mol |
| Monoisotopic Mass | 285.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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