zinc(2+) ion 8-(dimethylamino)-10λ4-oxa-5-azatetraphen-10-ylium trichloride

• ChemBase ID: 172617
• Molecular Formular: C18H15Cl3N2OZn
• Molecular Mass: 447.0635
• Monoisotopic Mass: 443.95413815
• SMILES: c1c(cc2c(c1)nc1c([o+]2)ccc2c1cccc2)N(C)C.[Cl-].[Zn+2].[Cl-].[Cl-]
• Canonical SMILES: CN(c1ccc2c(c1)[o+]c1c(n2)c2ccccc2cc1)C.[Cl-].[Cl-].[Cl-].[Zn+2]
• InChI: InChI=1S/C18H15N2O.3ClH.Zn/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;;;;/h3-11H,1-2H3;3*1H;/q+1;;;;+2/p-3
• InChIKey: YTEJSAFVYHDCSN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion 8-(dimethylamino)-10λ^4-oxa-5-azatetraphen-10-ylium trichloride
• IUPAC Traditional name: zinc(2+) ion 8-(dimethylamino)-10λ^4-oxa-5-azatetraphen-10-ylium trichloride
• Synonyms: 9-(Dimethylamino)benzo[a]phenoxazin-7-ium Chloride Zinc Chloride; Meldola's Blue; Zinc Chloride 9-(Dimethylamino)benzo[a]phenoxazin-7-ium Chloride; Basic Leather Blue D; Meldola Blue; Meldola Blue

Database IDs

• CAS Number: 7057-57-0
• PubChem SID: 164228527
• PubChem CID: 81506

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6668386
• LogD (pH = 7.4): 4.6668415
• Log P: 4.6668415
• Molar Refractivity: 84.5919 cm^3
• Polarizability: 35.56328 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M215120

A biosensor for the measurement of lactate in serum has been developed, which is based on a screen-printed carbon electrode, modified with Meldola's Blue-Reinecke Salt (MBRS-SPCE), coated with the enzyme lactate dehydrogenase NAD+ dependent (from Porcine

REFERENCES

• Gay, R., et al.: Clin. Chem., 14, 740 (1968)
• Curulli, A., et al.: Talanta, 44, 1659 (1968)
• Shah, N., et al.: Anal. Chem., 79, 6927 (1968)