loading...| Preferred Name |
pantoprazole |
|
| Synonyms |
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole pantoprazol pantoprazole pantoprazolum |
|
| Definitions |
A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7915 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:2054 KEGG:C11806 HMDB:HMDB0005017 Reaxys:5361474 VSDB:2958 LINCS:LSM-1390 Patent:US4758579 PMID:11110229 Patent:EP166287 KEGG:D05353 Beilstein:5361474 CAS:102625-70-7 DrugBank:DB00213 Wikipedia:Pantoprazole PMID:11240974 |
|
| definition |
A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2. |
|
| formula |
C16H15F2N3O4S |
|
| has exact synonym |
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_49200 http://purl.obolibrary.org/obo/CHEBI_35703 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
pantoprazol pantoprazole pantoprazolum |
|
| id |
CHEBI:7915 |
|
| in_subset | ||
| 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) |
|
| inchikey |
IQPSEEYGBUAQFF-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
pantoprazole |
|
| mass |
383.37093 |
|
| monoisotopicmass |
383.07513 |
|
| notation |
CHEBI:7915 |
|
| prefLabel |
pantoprazole |
|
| smiles |
COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_22063 |