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CHEBI:142433 - cinaciguat

Default Structure
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:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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
cinaciguatWHO MedNet
cinaciguatumWHO MedNet
Synonyms  Source
BAY 58-2667ChemIDplus
BAY582667ChemIDplus
Manual XrefsDatabases
CinaciguatWikipedia
D07577KEGG DRUG
US2012010292Patent
Z90PDBeChem
Registry NumbersSources
Reaxys:9676935Reaxys
CAS:329773-35-5ChemIDplus
CAS:329773-35-5KEGG DRUG
Citations