| CAS Number | 142706-18-1 |
| Catalog Number | AG009EZR(AGN-PC-0PSU2M) |
| Chemical Name | (R)-(+)-Pantoprazole |
| IUPAC Name | 6-(difluoromethoxy)-2-[(R)-(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole |
| InChI | InChI=1S/C16H15F2N3O4S/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,(H,20,21)/t26-/m1/s1 |
| InChI Key | IQPSEEYGBUAQFF-AREMUKBSSA-N |
| MDL Number | MFCD12031394 |
| Molecular Formula | C16H15F2N3O4S |
| Molecular Weight | 383.3698 |
| SMILES | COc1c(OC)ccnc1C[S@@](=O)c1nc2c([nH]1)ccc(c2)OC(F)F |
| Synonyms | 142706-18-1,
CHEMBL2096747,
(R)-(+)-Pantoprazole,
(R)-Pantoprazole,
SCHEMBL22198,
ZINC4676424,
BDBM50409893,
UNII-D8TST4O562 component IQPSEEYGBUAQFF-AREMUKBSSA-N,
pantoprazole,
CS-T-38666,
CID11181988,
A11696,
1H-Benzimidazole,5-(difluoromethoxy)-2-[(R)-[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-,
102625-70-7,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.37g/mol |
| Monoisotopic Mass | 383.075g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number