CHEBI:190069 - Saprisartan

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Saprisartan
ChEBI ID CHEBI:190069
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H22BrF3N4O4S
Net Charge 0
Average Mass 611.430
Monoisotopic Mass 610.04972
InChI InChI=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)
InChIKey DUEWVPTZCSAMNB-UHFFFAOYSA-N
SMILES BrC=1C=2C=C(CN3C(=C(N=C3CC)C4CC4)C(=O)N)C=CC2OC1C=5C(NS(=O)(=O)C(F)(F)F)=CC=CC5
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
54892 ChemSpider
DB01347 KEGG DRUG
HMDB0015437 HMDB
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Registry Number Type Source
146623-69-0 CAS Registry Number ChemIDplus