| CAS Number | 1159977-27-1 |
| Catalog Number | AG008W5D(AGN-PC-0WAACG) |
| Chemical Name | 4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfone |
| IUPAC Name | 2-[(4-chloro-3-methylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole |
| InChI | InChI=1S/C14H12ClN3O2S/c1-9-10(15)6-7-16-13(9)8-21(19,20)14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18) |
| InChI Key | ACKATQAAEKWYKV-UHFFFAOYSA-N |
| MDL Number | MFCD28898410 |
| Molecular Formula | C14H12ClN3O2S |
| Molecular Weight | 321.7820 |
| SMILES | Cc1c(Cl)ccnc1CS(=O)(=O)c2nc3ccccc3[nH]2 |
| Synonyms | 4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfone,
1159977-27-1,
SCHEMBL12898036,
CTK8F5901,
DTXSID30675801,
ZINC35643785,
2-[(4-Chloro-3-methylpyridin-2-yl)methanesulfonyl]-1H-benzimidazole,
2-[[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfonyl-1H-benzimidazole,
ACKATQAAEKWYKV-UHFFFAOYSA-N,
|
| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.779g/mol |
| Monoisotopic Mass | 321.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number