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> Main
CHEBI:3566 - cetylpyridinium chloride monohydrate
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ChEBI Ontology
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ChEBI Name
cetylpyridinium chloride monohydrate
ChEBI ID
CHEBI:3566
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formulae
C21H38N.H2O.Cl
C21H40ClNO
Net Charge
0
Average Mass
358.00100
Monoisotopic Mass
357.27984
InChI
InChI=1S/C21H38N.ClH.H2O/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
16-
19-
22-
20-
17-
15-
18-
21-
22;;/h15,17-
18,20-
21H,2-
14,16,19H2,1H3;1H;1H2/q+1;;/p-
1
InChIKey
NFCRBQADEGXVDL-UHFFFAOYSA-M
SMILES
O.[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1
ChEBI Ontology
Outgoing
cetylpyridinium chloride monohydrate (
CHEBI:3566
)
has part
cetylpyridinium chloride (
CHEBI:32915
)
cetylpyridinium chloride monohydrate (
CHEBI:3566
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
1-hexadecylpyridinium chloride—water (1/1)
Synonyms
Sources
1-hexadecylpyridinium chloride monohydrate
ChemIDplus
cetylpyridinium chloride monohydrate
ChemIDplus
Manual Xrefs
Databases
C11307
KEGG COMPOUND
D01062
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
6004-24-6
CAS Registry Number
ChemIDplus
717786
Gmelin Registry Number
Gmelin
Last Modified
28 July 2014