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CHEBI:190069 - Saprisartan

ChEBI IDCHEBI:190069
ChEBI NameSaprisartan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22BrF3N4O4S
Net Charge0
Average Mass611.440
Monoisotopic Mass610.04972
SMILESCCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1
InChIInChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
InChIKeyDUEWVPTZCSAMNB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Saprisartan (CHEBI:190069) is a benzofurans (CHEBI:35259)
IUPAC Name 
3-[[3-bromo-2-[2-(triluoromethylsulonylamino)phenyl]-1-benzouran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxamide
Manual XrefsDatabases
DB01347DrugBank
54892ChemSpider
HMDB0015437HMDB
Registry NumbersSources
CAS:146623-69-0ChemIDplus