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Benzyldimethylhexadecylammonium chloride-[d7]

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General Information
Catalog: BLP-009152
CAS: 1998128-85-0
Molecular Formula: C25H39D7ClN
Molecular Weight: 403.14

Chemical Structure

Description	One of the isotopic labelled impurities of Zephirol, a quaternary ammonium compound, has been found to be effective in the treatment of herpes, hepatitis and other infections.
Synonyms	N-Hexadecyl-N,N-dimethylbenzenemethanaminium Chloride-d7; Cetalkonium Chloride-d7; Acetoquate CDAC-d7; Bicetonium-d7; Zettyn Chloride-d7
IUPAC Name	[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-hexadecyl-dimethylazanium;chloride
Related CAS	122-18-9 (unlabelled)
Canonical SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI	InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1/i17D,18D,19D,21D,22D,24D2;
InChI Key	SXPWTBGAZSPLHA-IULIFYPESA-M
Melting Point	53-56°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C