CHEBI:31507 - 2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide
ChEBI ID CHEBI:31507
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H28INO2
C22H28NO2.I
Net Charge 0
Average Mass 465.369
Monoisotopic Mass 465.11647
InChI InChI=1S/C22H28NO2.HI/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3;1H/q+1;/p-1
InChIKey NOXZRZKBAKQQAL-UHFFFAOYSA-M
SMILES [I-].O1C(COC1(C2=CC=CC=C2)C3=CC=CC=C3)C[N+]4(CCCCC4)C
ChEBI Ontology
Outgoing 2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide (CHEBI:31507) is a dioxolane (CHEBI:39430)
2,2-diphenyl-4-piperidinomethyl-1,3-dioxolane methiodide (CHEBI:31507) is a piperidines (CHEBI:26151)
Synonym Source
Diphenylpiperidinomethyldioxolan iodide KEGG COMPOUND
Manual Xref Database
D01600 KEGG DRUG
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Registry Number Type Source
21216-78-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017