4-methyl-1-tetradecylpyridin-1-ium chloride

• ChemBase ID: 108200
• Molecular Formular: C20H36ClN
• Molecular Mass: 325.95954
• Monoisotopic Mass: 325.25362784
• SMILES: [Cl-].CCCCCCCCCCCCCC[n+]1ccc(C)cc1
• Canonical SMILES: CCCCCCCCCCCCCC[n+]1ccc(cc1)C.[Cl-]
• InChI: InChI=1S/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1
• InChIKey: ZCTSINFCZHUVLI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-tetradecylpyridin-1-ium chloride
• IUPAC Traditional name: 4-methyl-1-tetradecylpyridin-1-ium chloride
• Synonyms: 4-Methyl-1-tetradecylpyridinium Chloride; 1-Tetradecyl-4-picolinium Chloride; MPC; Miripirium Chloride; Quatresin; Wet-Tone B; Myristyl-γ-picolinium Chloride; MYRISTYL-γ-PICOLINIUM CHLORIDE

Database IDs

• CAS Number: 2748-88-1
• EC Number: 220-387-1
• PubChem SID: 162095087
• PubChem CID: 17671

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.095212
• LogD (pH = 7.4): 3.095212
• Log P: 3.095212
• Molar Refractivity: 94.9813 cm^3
• Polarizability: 37.230846 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TJ7825000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 05206453

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - M885030

Myristyl-γ-picolinium chloride (MGP) is a novel constituent of Methylprednisolone acetate suspensions used for intra-articular corticosteroid therapy.

REFERENCES

• Myers, S.L., et al.: J. Lab. Clin. Med., 111, 203 (1988)