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CHEBI:142433 - cinaciguat

ChEBI IDCHEBI:142433
ChEBI Namecinaciguat
Stars
DefinitionA benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure.
Last Modified22 October 2018
SubmitterBijay
DownloadsMolfile
FormulaC36H39NO5
Net Charge0
Average Mass565.710
Monoisotopic Mass565.28282
SMILESO=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)
InChIKeyWPYWMXNXEZFMAK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
soluble guanylate cyclase activator  Any compound that binds to and activates soluble guanylate cyclase (EC 4.6.1.2).
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
cinaciguat (CHEBI:142433) has role antihypertensive agent (CHEBI:35674)
cinaciguat (CHEBI:142433) has role soluble guanylate cyclase activator (CHEBI:76022)
cinaciguat (CHEBI:142433) has role vasodilator agent (CHEBI:35620)
cinaciguat (CHEBI:142433) is a aromatic ether (CHEBI:35618)
cinaciguat (CHEBI:142433) is a benzoic acids (CHEBI:22723)
cinaciguat (CHEBI:142433) is a dicarboxylic acid (CHEBI:35692)
cinaciguat (CHEBI:142433) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
INNs  Source
cinaciguatWHO MedNet
cinaciguatWHO MedNet
cinaciguatumWHO MedNet
cinaciguatWHO MedNet
Synonyms  Source
BAY582667ChemIDplus
BAY 58-2667ChemIDplus
Manual XrefsDatabases
D07577KEGG DRUG
CinaciguatWikipedia
Z90PDBeChem
US2012010292Patent
Registry NumbersSources
Reaxys:9676935Reaxys
CAS:329773-35-5ChemIDplus
CAS:329773-35-5KEGG DRUG
Citations