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7057-57-0 molecular structure
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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 and InChIs

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

Cite this record

CBID:172617 http://www.chembase.cn/molecule-172617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion 8-(dimethylamino)-10λ4-oxa-5-azatetraphen-10-ylium trichloride
IUPAC Traditional name
zinc(2+) ion 8-(dimethylamino)-10λ4-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
CAS Number
7057-57-0
PubChem SID
164228527
PubChem CID
81506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M215120 external link Add to cart
PubChem 81506 external link
Data Source Data ID Price
TRC
M215120 external link Add to cart Please log in.
Data Source Data ID
PubChem 81506 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6668386  LogD (pH = 7.4) 4.6668415 
Log P 4.6668415  Molar Refractivity 84.5919 cm3
Polarizability 35.56328 Å3 Polar Surface Area 29.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M215120 external link
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

REFERENCES

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  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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