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CHEBI:46859 - polidocanol

ChEBI IDCHEBI:46859
ChEBI Namepolidocanol
Stars
DefinitionA hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group.
Secondary ChEBI IDsCHEBI:34927, CHEBI:41445
Last Modified16 February 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC30H62O10
Net Charge0
Average Mass582.816
Monoisotopic Mass582.43430
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChIKeyONJQDTZCDSESIW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
nonionic surfactant  A surfactant with an uncharged hydrophilic headgroup.
Biological Roles:
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
sclerotherapy agent  A sclerotherapy agent is used to treat blood vessels or blood vessel malformations (vascular malformations) and also those of the lymphatic system by injection into the vessels, which makes them shrink.
ChEBI Ontology
Outgoing Relation(s)
polidocanol (CHEBI:46859) has functional parent nonaethylene glycol (CHEBI:39784)
polidocanol (CHEBI:46859) has role hepatotoxic agent (CHEBI:50908)
polidocanol (CHEBI:46859) has role nonionic surfactant (CHEBI:38828)
polidocanol (CHEBI:46859) has role sclerotherapy agent (CHEBI:63923)
polidocanol (CHEBI:46859) is a hydroxypolyether (CHEBI:46792)
IUPAC Name 
3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol
Synonyms  Source
PolidocanolKEGG COMPOUND
Nonaethylene glycol monododecyl etherKEGG COMPOUND
DODECYL NONA ETHYLENE GLYCOL ETHERPDBeChem
nonaethylene glycol monolauryl etherChEBI
Manual XrefsDatabases
C13493KEGG COMPOUND
CE9PDBeChem
PolidocanolWikipedia
Registry NumbersSources
Reaxys:1895308Reaxys
CAS:3055-99-0KEGG COMPOUND
CAS:3055-99-0ChemIDplus
Citations