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Benzyldimethyltetradecylammonium-[d7] Chloride

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General Information
Catalog: BLP-009725
CAS: 1219178-72-9
Molecular Formula: C23H35ND7·Cl
Molecular Weight: 375.08

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	Zephirol Related Compound 1-d7; N,N-Dimethyl-N-tetradecylbenzenemethanaminium-d7 Chloride; (Benzyl-d7)dimethyltetradecylammonium Chloride; Zephiramine-d7 Chloride
IUPAC Name	[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-dimethyl-tetradecylazanium;chloride
Related CAS	139-08-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCC)[2H])[2H].[Cl-]
Canonical SMILES	CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI	InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1/i15D,16D,17D,19D,20D,22D2;
InChI Key	OCBHHZMJRVXXQK-JKJUCWQGSA-M
Melting Point	58-59 °C
Purity	95% by HPLC; 98% atom D
Appearance	White to Off-White Solid