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CHEBI:48549 - tolrestat

ChEBI IDCHEBI:48549
ChEBI Nametolrestat
Stars
Secondary ChEBI IDsCHEBI:9621, CHEBI:46009
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H14F3NO3S
Net Charge0
Average Mass357.353
Monoisotopic Mass357.06465
SMILESCOc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F
InChIInChI=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)
InChIKeyLUBHDINQXIHVLS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 1.1.1.21 (aldehyde reductase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).
ChEBI Ontology
Outgoing Relation(s)
tolrestat (CHEBI:48549) has role EC 1.1.1.21 (aldehyde reductase) inhibitor (CHEBI:48550)
tolrestat (CHEBI:48549) is a naphthalenes (CHEBI:25477)
IUPAC Name 
N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine
INNs  Source
tolrestatChemIDplus
tolrestatumChemIDplus
Synonyms  Source
TolrestatKEGG COMPOUND
TOLRESTATPDBeChem
N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycineIUPAC
N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycineChemIDplus
Brand Name  Source
AlredaseKEGG DRUG
Manual XrefsDatabases
C01621KEGG COMPOUND
TOLPDBeChem
D02323KEGG DRUG
DB02383DrugBank
EP59596Patent
TolrestatWikipedia
2704DrugCentral
Registry NumbersSources
Beilstein:4208277Beilstein
CAS:82964-04-3KEGG COMPOUND
CAS:82964-04-3ChemIDplus