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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:48549 - tolrestat
Main
ChEBI Ontology
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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
Supplier Information
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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).
View more via ChEBI Ontology
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