tipiracil hydrochloride (CHEBI:90877)

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ChEBI Name	tipiracil hydrochloride

ChEBI ID	CHEBI:90877

Definition	A hydrochloride obtained by combining tipiracil with one equivalent of hydrochloric acid. Used in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H12Cl2N4O2

Net Charge

Average Mass

279.123

Monoisotopic Mass

278.03373

InChI

InChI=1S/C9H11ClN4O2.ClH/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11;/h11H,1-4H2,(H2,12,13,15,16);1H

InChIKey

KGHYQYACJRXCAT-UHFFFAOYSA-N

SMILES

C1(=C(C(NC(N1)=O)=O)Cl)CN2C(CCC2)=N.Cl

Roles Classification
Biological Role(s):	EC 2.4.2.4 (thymidine phosphorylase) inhibitor An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of thymidine phosphorylase (EC 2.4.2.4).

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	tipiracil hydrochloride (CHEBI:90877) has part tipiracil(1+) (CHEBI:90880) tipiracil hydrochloride (CHEBI:90877) has role antineoplastic agent (CHEBI:35610) tipiracil hydrochloride (CHEBI:90877) has role EC 2.4.2.4 (thymidine phosphorylase) inhibitor (CHEBI:90878) tipiracil hydrochloride (CHEBI:90877) is a hydrochloride (CHEBI:36807) tipiracil hydrochloride (CHEBI:90877) is a iminium salt (CHEBI:35277)

Incoming	Lonsurf (CHEBI:90876) has part tipiracil hydrochloride (CHEBI:90877)

IUPAC Names

1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium chloride

5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dione hydrochloride

Synonyms	Sources
tipiracil monohydrochloride	ChemIDplus
tipiracil.HCl	ChemIDplus

Last Modified

11 January 2016