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CHEBI:48409 - eprosartan methanesulfonate

Default Structure
ChEBI IDCHEBI:48409
ChEBI Nameeprosartan methanesulfonate
Stars
Last Modified20 February 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H24N2O4S.CH4O3S
Net Charge0
Average Mass520.629
Monoisotopic Mass520.13379
SMILESCCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O
InChIInChI=1S/C23H24N2O4S.CH4O3S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4)/b18-12+;
InChIKeyDJSLTDBPKHORNY-XMMWENQYSA-N
Roles Classification
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
eprosartan methanesulfonate (CHEBI:48409) has part eprosartan (CHEBI:4814)
eprosartan methanesulfonate (CHEBI:48409) has role antihypertensive agent (CHEBI:35674)
eprosartan methanesulfonate (CHEBI:48409) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid methanesulfonate
Synonyms  Source
eprosartan mesylateChemIDplus
(E)-2-butyl-1-(p-carboxybenzyl)-α-2-thenylimidazole-5-acrylic acid, monomethanesulfonateChemIDplus
(E)-α-((2-butyl-1-((4-carboxyphenyl)methyl)-1H-imidazol-5-yl)methylene)-2-thiophenepropanoic acid monomethanesulfonateChemIDplus
Brand Name  Source
TevetenKEGG DRUG
Manual XrefsDatabases
D02082KEGG DRUG
Registry NumbersSources
Beilstein:9889741Beilstein
CAS:144143-96-4ChemIDplus