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CHEBI:228679 - NVP-231

ChEBI IDCHEBI:228679
ChEBI NameNVP-231
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H25N3O2S
Net Charge0
Average Mass431.561
Monoisotopic Mass431.16675
SMILESO=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)c1ccccc1
InChIInChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)
InChIKeyMVSSJPGNLQPWSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
NVP-231 (CHEBI:228679) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
Manual XrefsDatabases
3310386ChemSpider