| CAS Number | 160488-53-9 |
| Catalog Number | AG00ADTA(AGN-PC-0Q7WCE) |
| Chemical Name | 6-(Difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt |
| IUPAC Name | sodium;5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-3-ide |
| InChI | InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1/t26-;/m0./s1 |
| InChI Key | YNWDKZIIWCEDEE-SNYZSRNZSA-N |
| MDL Number | MFCD28506136 |
| Molecular Formula | C16H14F2N3NaO4S |
| Molecular Weight | 405.3516 |
| SMILES | COC1=CC=NC(=C1OC)C[S@](=O)C2=NC3=C(C=C(C=C3)OC(F)F)[N-]2.[Na+] |
| UNII | 5NJC1A1H4K |
| Synonyms | 160488-53-9,
sodium (S)-6-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide,
6-(Difluoromethoxy)-2-[(S)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole Sodium Salt,
UNII-5NJC1A1H4K,
5NJC1A1H4K,
CHEMBL4067579,
KS-00000TSD,
AK546417,
UNII-S9363155XL component YNWDKZIIWCEDEE-SNYZSRNZSA-N,
(S)-(-)-pantoprazole sodiuM,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.352g/mol |
| Monoisotopic Mass | 405.057g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number