pibutidine hydrochloride (CHEBI:32000)

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CHEBI:32000 - pibutidine hydrochloride

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ChEBI ID	CHEBI:32000
ChEBI Name	pibutidine hydrochloride
Stars
Definition	The hydrochloride salt of pibutidine. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers. It was in phase III clinical trials in Japan (now discontinued).
Last Modified	12 December 2019
Downloads	Molfile

Formula	C19H24N4O3.HCl
Net Charge	0
Average Mass	392.887
Monoisotopic Mass	392.16152
SMILES	Cl.Nc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O
InChI	InChI=1S/C19H24N4O3.ClH/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;1H/b5-2-;
InChIKey	ODBOENMSSFCACZ-PVOKDAACSA-N

Roles Classification

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 hydrochloride (CHEBI:32000) has part pibutidine(1+) (CHEBI:145665)
	pibutidine hydrochloride (CHEBI:32000) has role anti-ulcer drug (CHEBI:49201)
	pibutidine hydrochloride (CHEBI:32000) has role H₂-receptor antagonist (CHEBI:37961)
	pibutidine hydrochloride (CHEBI:32000) is a hydrochloride (CHEBI:36807)

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 hydrochloride

Synonyms	Source
pibutidine hydrochloride	KEGG DRUG
IT 066	KEGG DRUG
IT-066	ChemIDplus
pibutidine HCl	ChEBI
3-amino-4-[4-[4-(1-piperidinomethyl)-2-pyridyloxy]-cis-2- butenylamino]-3-cyclobutene-1,2-dione hydrochloride	ChEBI
pibutidine monohydrochloride	ChEBI

Manual Xrefs	Databases
D01861	KEGG DRUG

Registry Numbers	Sources
CAS:126463-66-9	ChemIDplus

Citations