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Chemical structure of Cetalkonium Chloride-d7

GC70668

Cetalkonium Chloride-d7

Also known as [dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-hexadecyl-dimethylazanium chloride

Cetalkonium Chloride-d7 is the deuterium labeled Cetalkonium Chloride

ChemicalCAS1998128-85-0MW403.14FormulaC25H39D7ClN
CAS number
1998128-85-0
Molecular weight
403.14
Formula
C25H39D7ClN
InChIKey
SXPWTBGAZSPLHA-IULIFYPESA-M
Catalogue number
GC70668
Brand
GLPBIO
Computed properties PubChem CID 71314648 · TPSA 0 Ų · H-bond donors 0 · H-bond acceptors 1
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
17
Heavy atoms
27

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCCCC)[2H])[2H].[Cl-]

Computed descriptors from PubChem (CID 71314648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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