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CHEBI:94233 - N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide

ChEBI IDCHEBI:94233
ChEBI NameN-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
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DownloadsMolfile
FormulaC26H27FN2O3S
Net Charge0
Average Mass466.578
Monoisotopic Mass466.17264
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)c1
InChIInChI=1S/C26H27FN2O3S/c1-31-22-8-9-24(32-2)19(15-22)11-12-28-26(30)20-5-10-25-23(16-20)29(13-14-33-25)17-18-3-6-21(27)7-4-18/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,30)
InChIKeyPEWAQZDJVNVKEB-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CHEBI:94233) is a benzothiazine (CHEBI:46899)
Manual XrefsDatabases
LSM-4856LINCS