CHEBI:9620 - tolnaftate

ChEBI IDCHEBI:9620
ChEBI Nametolnaftate
Stars
DefinitionA monothiocarbamic ester that is the methyl(3-tolyl)carbamothioate ester of 2-naphthol. A synthetic anti-fungal agent used to treat jock itch, athlete's foot and ringworm.
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H17NOS
Net Charge0
Average Mass307.418
Monoisotopic Mass307.10309
SMILESCc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
InChIKeyFUSNMLFNXJSCDI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Application:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
tolnaftate (CHEBI:9620) has functional parent 2-naphthol (CHEBI:10432)
tolnaftate (CHEBI:9620) has role antifungal drug (CHEBI:86327)
tolnaftate (CHEBI:9620) is a monothiocarbamic ester (CHEBI:38128)
IUPAC Name 
O-2-naphthyl methyl(3-methylphenyl)carbamothioate
INNs  Source
tolnaftateKEGG DRUG
tolnaftatumDrugBank
tolnaftatoDrugBank
tolnaftateWHO MedNet
Synonyms  Source
m,N-Dimethylthiocarbanilic acid O-2-naphthyl esterChemIDplus
2-Naphthyl N-methyl-N-(3-tolyl)thionocarbamateChemIDplus
O-2-Naphthyl m,N-dimethylthiocarbanilateChemIDplus
N-methyl-N-(3-methylphenyl)-1-(naphthalen-2-yloxy)methanethioamideHMDB
TolnaphthateNIST Chemistry WebBook
Methyl (3-methylphenyl)carbamothioic acid O-2-naphthalenyl esterNIST Chemistry WebBook
Brand Names  Source
SeparinKEGG DRUG
TinactinKEGG DRUG
Manual XrefsDatabases
D00381KEGG DRUG
DB00525DrugBank
HMDB0005005HMDB
TolnaftateWikipedia
WO2010037089Patent
US2010035939Patent
LSM-5554LINCS
3617DrugCentral
Registry NumbersSources
Reaxys:2752620Reaxys
CAS:2398-96-1KEGG DRUG
CAS:2398-96-1ChemIDplus
CAS:2398-96-1NIST Chemistry WebBook
Citations