CHEBI:55326 - pentolinium tartrate

ChEBI IDCHEBI:55326
ChEBI Namepentolinium tartrate
Stars
DefinitionThe bitartrate salt of pentolinium.
Last Modified24 September 2014
Submitterzjosephs
DownloadsMolfile
FormulaC15H32N2.2C4H5O6
Net Charge0
Average Mass538.591
Monoisotopic Mass538.27377
SMILESC[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1
InChIKeyHSMKTIKKPMTUQH-WBPXWQEISA-L
Roles Classification
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
pentolinium tartrate (CHEBI:55326) has part pentolinium ion (CHEBI:347401)
pentolinium tartrate (CHEBI:55326) has role antihypertensive agent (CHEBI:35674)
pentolinium tartrate (CHEBI:55326) is a tartrate salt (CHEBI:50562)
IUPAC Name 
1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) bis[(2R,3R)-3-carboxy-2,3-dihydroxypropanoate]
Synonyms  Source
PendineChemIDplus
Pentalinium tartrateChemIDplus
Pentamethylene-1,5-bis(1'-methylpyrrolidinium tartrate)ChemIDplus
Pentapyrrolidium bitartrateChemIDplus
Pentolinium bitartrateChemIDplus
Pentolinium ditartrateChemIDplus
Manual XrefsDatabases
DB01090DrugBank
Registry NumbersSources
Reaxys:5216205Reaxys
CAS:52-62-0ChemIDplus
Citations