CHEBI:9703 - tridihexethyl chloride

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ChEBI Name tridihexethyl chloride
ChEBI ID CHEBI:9703
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H36NO.Cl
Net Charge 0
Average Mass 353.96938
Monoisotopic Mass 353.249
InChI InChI=1S/C21H36NO.ClH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1
InChIKey XJGONMZLEDGBRM-UHFFFAOYSA-M
SMILES [Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1
ChEBI Ontology
Outgoing tridihexethyl chloride (CHEBI:9703) has part tridihexethyl (CHEBI:9701)
tridihexethyl chloride (CHEBI:9703) is a organic chloride salt (CHEBI:36094)
IUPAC Name
3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride
Synonym Source
(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride ChemIDplus
Manual Xrefs Databases
D00723 KEGG DRUG
DB00505 DrugBank
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Registry Numbers Types Sources
4067320 Beilstein Registry Number Beilstein
4310-35-4 CAS Registry Number ChemIDplus
Last Modified
02 December 2008