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CHEBI:188562 - Tofimilast

ChEBI IDCHEBI:188562
ChEBI NameTofimilast
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21N5S
Net Charge0
Average Mass339.468
Monoisotopic Mass339.15177
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2
InChIInChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyDHCOPPHTVOXDKU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Tofimilast (CHEBI:188562) is a triazolopyridine (CHEBI:46746)
IUPAC Name 
12-cyclopentyl-10-ethyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
Manual XrefsDatabases
8071932ChemSpider
DB11681DrugBank
D09020KEGG DRUG
Registry NumbersSources
CAS:185954-27-2ChemIDplus