CHEBI:133924 - piperazine adipate

ChEBI IDCHEBI:133924
ChEBI Namepiperazine adipate
Stars
DefinitionA piperazinium salt obtained by combining equimolar amounts of piperazine and adipic acid.
Last Modified21 April 2017
SubmitterKeeva
DownloadsMolfile
FormulaC4H10N2.C6H10O4
Net Charge0
Average Mass232.280
Monoisotopic Mass232.14231
SMILESC1CNCCN1.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
InChIKeyBVEGEKOBSPXUJS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Roles Classification
Applications:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
piperazine adipate (CHEBI:133924) has part adipate(2−) (CHEBI:17128)
piperazine adipate (CHEBI:133924) has part piperazinium(2+) (CHEBI:136874)
piperazine adipate (CHEBI:133924) has role anthelminthic drug (CHEBI:35443)
piperazine adipate (CHEBI:133924) has role antinematodal drug (CHEBI:35444)
piperazine adipate (CHEBI:133924) is a piperazinium salt (CHEBI:46849)
IUPAC Names 
hexanedioic acid—piperazine (1/1)
piperazine-1,4-diium hexanedioate
Synonyms  Source
hexanedioic acid - piperazine (1:1)ChEBI
piperazinium hexanedioateChEBI
piperazinium adipateChEBI
Manual XrefsDatabases
8565ChemSpider
D02145KEGG DRUG
C13811KEGG COMPOUND
DB00592DrugBank
Registry NumbersSources
Reaxys:3740365Reaxys
CAS:142-88-1KEGG COMPOUND
CAS:142-88-1ChemIDplus
Citations