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CHEBI:32025 - Polidronium chloride

ChEBI IDCHEBI:32025
ChEBI NamePolidronium chloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC22H48N3O6.3Cl
Net Charge0
Average Mass557.000
Monoisotopic Mass555.26087
SMILESC[N+](C)(C/C=C/C[N+](CCO)(CCO)CCO)C/C=C/C[N+](CCO)(CCO)CCO.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;
InChIKeyOTIWYSKRSMXGNK-VHJGTCNUSA-K
ChEBI Ontology
Outgoing Relation(s)
Polidronium chloride (CHEBI:32025) is a quaternary ammonium salt (CHEBI:35273)
Synonym  Source
Polidronium chlorideKEGG COMPOUND
Manual XrefsDatabases
D01912KEGG DRUG
Registry NumbersSources
CAS:75345-27-6KEGG COMPOUND