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108321-12-6 molecular structure
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tetrasodium 5-amino-3-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate

ChemBase ID: 104767
Molecular Formular: C34H24N6Na4O14S4
Molecular Mass: 960.80524
Monoisotopic Mass: 959.9824106
SMILES and InChIs

SMILES:
[Na+].[Na+].[Na+].[Na+].Cc1c(ccc(c1)c1cc(C)c(cc1)/N=N/c1c(cc2cc(cc(N)c2c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c1c(cc2cc(cc(N)c2c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]
Canonical SMILES:
Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI:
InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey:
GLNADSQYFUSGOU-UHFFFAOYSA-J

Cite this record

CBID:104767 http://www.chembase.cn/molecule-104767.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrasodium 5-amino-3-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
tetrasodium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
IUPAC Traditional name
tetrasodium 5-amino-3-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
tetrapotassium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
tetrasodium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
Synonyms
C.I. 23850
Trypan Blue solution
Trypan Blue
DIANIL BLUE 4B
Direct blue 14
1,2-bis[5-Amidino-2-ben-zofuranyl]ethylene
TRUE BLUE DIACETURATE SALT
Trypan blue
台盼蓝 溶液
直接蓝 14
台盼蓝
CAS Number
108321-12-6
72-57-1
EC Number
200-786-7
MDL Number
MFCD00003969
Beilstein Number
4360496
Merck Index
149792
PubChem SID
162091804
24900354
24858268
PubChem CID
5904246
5359264
CHEMBL
1640
Chemspider ID
10482308
KEGG ID
C19307
Unique Ingredient Identifier
I2ZWO3LS3M
Wikipedia Title
Trypan_blue
Color Index Number
23850

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -4.154585  H Acceptors 20 
H Donor LogD (pH = 5.5) -3.5636518 
LogD (pH = 7.4) -3.6084332  Log P 1.1347388 
Molar Refractivity 214.1808 cm3 Polarizability 83.89891 Å3
Polar Surface Area 370.74 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
H2O: soluble10 mg/mL expand Show data source
Apperance
powder expand Show data source
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
Density
1.007 g/mL at 20 °C expand Show data source
Absorption Wavelength
λmax 607 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
QJ6475000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
45 expand Show data source
Safety Statements
53-20-36-45-60 expand Show data source
53-45 expand Show data source
R expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H350 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
P281-P201-P202-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Gene Information
human ... PTPN1(5770), PTPRF(5792) expand Show data source
Purity
Dye Content ~45% expand Show data source
dye content >60% expand Show data source
Concentration
0.4% expand Show data source
Grade
for microscopy expand Show data source
for microscopy (Hist., Vit.) expand Show data source
Compostion
Dye content, ~40% expand Show data source
Dye content, 60% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
C34H24N6O14S4Na4 expand Show data source
Empirical Formula (Hill Notation)
C34H24N6Na4O14S4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208958 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02157150 external link
Diaceturate Salt
Dye content: ~ 45%
A fluorescent neuronal tracer.
Sigma Aldrich - T6146 external link
Application
在细胞毒性试验中用于检测死亡细胞和垂死细胞,也可用于细胞活性的常规评估。
包装
5, 25, 100 g in glass bottle
Sigma Aldrich - 302643 external link
Application
Trypan blue is a blue acid dye that contains two azo chromophores. It is a large, hydrophilic, tetrasulfonated dye. Trypan blue has been used as a vital stain as it is excluded by most living cells. It has been used to stain collagen and amyloid. It is also used in chlamydospore agar for fungi. When Trypan blue binds to proteins the resulting complex emits red fluorescence.
Packaging
25, 100 g in glass bottle
Sigma Aldrich - 93595 external link
Physical form
0.4% in 0.81% sodium chloride; 0.06% potassium phosphate, dibasic

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kuypers, H.G.J.M. and Huisman, A.M., Adv. Cellular Neurobiol. , 5 : 307, (1984).
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PATENTS

PATENTS

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INTERNET

INTERNET

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