loading...| Preferred Name |
tolrestat |
|
| Synonyms |
tolrestatum N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycine Alredase tolrestat N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine TOLRESTAT Tolrestat |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_48549 |
|
| alternative term |
tolrestatum N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycine Alredase tolrestat N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine TOLRESTAT Tolrestat |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
Drug_Central:2704 DrugBank:DB02383 CAS:82964-04-3 KEGG:D02323 KEGG:C01621 PDBeChem:TOL Wikipedia:Tolrestat Patent:EP59596 Beilstein:4208277 |
|
| formula |
C16H14F3NO3S |
|
| has_alternative_id |
CHEBI:46009 CHEBI:9621 |
|
| has_exact_synonym |
N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine TOLRESTAT Tolrestat |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
tolrestatum N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycine Alredase tolrestat |
|
| id |
CHEBI:48549 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22) |
|
| inchikey |
LUBHDINQXIHVLS-UHFFFAOYSA-N |
|
| label |
tolrestat |
|
| mass |
357.34851 |
|
| monoisotopicmass |
357.06465 |
|
| notation |
CHEBI:48549 |
|
| prefLabel |
tolrestat |
|
| RO_0000087 | ||
| smiles |
COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O |
|
| subClassOf |