CHEBI:48549 - tolrestat

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ChEBI Name tolrestat
ChEBI ID CHEBI:48549
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46009, CHEBI:9621
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Formula C16H14F3NO3S
Net Charge 0
Average Mass 357.34851
Monoisotopic Mass 357.06465
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
SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
tolrestat ChemIDplus
tolrestatum ChemIDplus
Synonyms Sources
N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycine ChemIDplus
N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine IUPAC
Tolrestat KEGG COMPOUND
TOLRESTAT PDBeChem
Brand Name Source
Alredase KEGG DRUG
Manual Xrefs Databases
2704 DrugCentral
C01621 KEGG COMPOUND
D02323 KEGG DRUG
DB02383 DrugBank
EP59596 Patent
TOL PDBeChem
Tolrestat Wikipedia
View more database links
Registry Numbers Types Sources
4208277 Beilstein Registry Number Beilstein
82964-04-3 CAS Registry Number KEGG COMPOUND
82964-04-3 CAS Registry Number ChemIDplus
Last Modified
22 February 2017