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CHEBI:145662 - pibutidine

Default Structure
ChEBI IDCHEBI:145662
ChEBI Namepibutidine
Stars
DefinitionAn aromtic ether that is 4-(piperidin-1-ylmethyl)pyridin-2-ol in which the hydroxy group has been substituted by a {(2Z)-4-[(2-amino-3,4-dioxocyclobut-1-en-1-yl)amino]but-2-en-1-yl}oxy group. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers.
Last Modified12 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC19H24N4O3
Net Charge0
Average Mass356.426
Monoisotopic Mass356.18484
SMILESNc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O
InChIInChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-
InChIKeyXMDYZASWLGWIPL-DJWKRKHSSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
Applications:
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
pibutidine (CHEBI:145662) has role anti-ulcer drug (CHEBI:49201)
pibutidine (CHEBI:145662) has role H2-receptor antagonist (CHEBI:37961)
pibutidine (CHEBI:145662) is a aromatic ether (CHEBI:35618)
pibutidine (CHEBI:145662) is a cyclobutenones (CHEBI:59718)
pibutidine (CHEBI:145662) is a olefinic compound (CHEBI:78840)
pibutidine (CHEBI:145662) is a piperidines (CHEBI:26151)
pibutidine (CHEBI:145662) is a primary amino compound (CHEBI:50994)
pibutidine (CHEBI:145662) is a pyridines (CHEBI:26421)
pibutidine (CHEBI:145662) is a secondary amino compound (CHEBI:50995)
pibutidine (CHEBI:145662) is conjugate base of pibutidine(1+) (CHEBI:145665)
Incoming Relation(s)
pibutidine(1+) (CHEBI:145665) is conjugate acid of pibutidine (CHEBI:145662)
IUPAC Name 
3-amino-4-{[(2Z)-4-{[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy}but-2-en-1-yl]amino}cyclobut-3-ene-1,2-dione
INNs  Source
pibutidinaWHO MedNet
pibutidineWHO MedNet
pibutidineWHO MedNet
pibutidinumWHO MedNet
Synonym  Source
3-amino-4-[[(Z)-4-[4-(piperidinomethyl)pyridin-2-yloxy]-2-butenyl]amino]-3-cyclobutene-1,2-dioneChEBI
Manual XrefsDatabases
HMDB0041986HMDB
Registry NumbersSources
CAS:103922-33-4ChemIDplus
Citations