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CHEBI:94229 - 4-[[[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:94229
ChEBI Name4-[[[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC24H28FN3O3S
Net Charge0
Average Mass457.571
Monoisotopic Mass457.18354
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1
InChIInChI=1S/C24H28FN3O3S/c1-2-31-24(30)27-11-9-20(10-12-27)26-23(29)18-5-8-22-21(15-18)28(13-14-32-22)16-17-3-6-19(25)7-4-17/h3-8,15,20H,2,9-14,16H2,1H3,(H,26,29)
InChIKeyBWDIIPBAILAAOX-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)
4-[[[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:94229) is a benzothiazine (CHEBI:46899)
Manual XrefsDatabases
LSM-4852LINCS