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MFCD00043102 molecular structure
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trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

ChemBase ID: 130883
Molecular Formular: C29H17ClN7Na3O11S3
Molecular Mass: 840.10289
Monoisotopic Mass: 838.95297792
SMILES and InChIs

SMILES:
c1ccc2c(c1)C(=O)c1c(cc(c(c1C2=O)N)S(=O)(=O)[O-])Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Canonical SMILES:
[O-]S(=O)(=O)c1cc(ccc1Nc1nc(Cl)nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI:
InChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
InChIKey:
VZPXDCIISFTYOM-UHFFFAOYSA-K

Cite this record

CBID:130883 http://www.chembase.cn/molecule-130883.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
IUPAC Traditional name
trisodium 1-amino-4-{[4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfonatophenyl]amino}-9,10-dioxoanthracene-2-sulfonate
Synonyms
Cibacron Blue 3GA Agarose
汽巴蓝 3GA 琼脂糖
MDL Number
MFCD00043102
PubChem SID
24892421
162225161
24893051
24892312
24892397
24892411
24892368
PubChem CID
9875920

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -5.5023346  H Acceptors 18 
H Donor LogD (pH = 5.5) -1.076469 
LogD (pH = 7.4) -1.078287  Log P -1.0826225 
Molar Refractivity 181.6666 cm3 Polarizability 69.83066 Å3
Polar Surface Area 306.52 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
lyophilized powder expand Show data source
saline suspension expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Binding Capacity
≥15 mg/mL binding capacity (human serum albumin) expand Show data source
≥5 mg/mL binding capacity (bovine serum albumin) expand Show data source
0.5-3 mg/mL binding capacity (bovine serum albumin) expand Show data source
1,000-4,000 units/mL binding capacity (lactic dehydrogenase) expand Show data source
10-20 mg/mL binding capacity (bovine serum albumin) expand Show data source
1-5 mg/mL binding capacity (bovine serum albumin) expand Show data source
2,000-8,000 units/mL binding capacity (lactic dehydrogenase) expand Show data source
2000-8,000 units/mL binding capacity (lactic dehydrogenase) expand Show data source
5-15 mg/mL binding capacity (aldolase) expand Show data source
6-10 mg/mL binding capacity (bovine serum albumin) expand Show data source
8-15 mg/mL binding capacity (bovine serum albumin) expand Show data source
Extent of Labeling
≥6 μmol per mL expand Show data source
0.05-0.2 μmol per mL expand Show data source
0.2-0.5 μmol per mL expand Show data source
0.8-1.2 μmol per mL expand Show data source
2-5 μmol per mL expand Show data source
2-6 μmol per per mL expand Show data source
8-15 μmol per mL expand Show data source
Type
Type 100 expand Show data source
Type 300 expand Show data source
Type 3000 expand Show data source
Type 3000-CL expand Show data source
Matrix
4% beaded agarose expand Show data source
Cross-linked 4% beaded agarose expand Show data source
cross-linked 4% beaded agarose expand Show data source
Fast flow highly cross-linked 6% agarose expand Show data source
Matrix Spacer
21 atoms expand Show data source
Matrix Activation
epoxy expand Show data source
Matrix Attachment
triazine coupling expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C1285 external link
Physical form
含 0.02% 硫柳汞的 0.5M NaCl 中的悬浮液
Sigma Aldrich - C1160 external link
Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Sigma Aldrich - C1535 external link
Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Application
Cibacron Blue 3GA-agarose is an agarose conjugate in saline suspension used in affinity chromatography, protein chromatography and dye resins.
Sigma Aldrich - C1660 external link
Quantity
Swelling: 1 g swells to approx. 5 ml
Physical form
Stabilized with lactose
Sigma Aldrich - C0910 external link
Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Sigma Aldrich - C8321 external link
Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Application
Cibacron Blue 3GA-agarose is an agarose conjugate in saline suspension used in affinity chromatography, protein chromatography and dye resins.
Sigma Aldrich - C1410 external link
Quantity
Swelling: 1 g swells to approx. 5 ml
Physical form
Stabilized with lactose
Sigma Aldrich - C1035 external link
Physical form
Suspension in 0.5 M NaCl containing 0.02% thimerosal
Sigma Aldrich - C1461 external link
Physical form
Suspension in 0.05 M NaCl containing 0.02% thimerosal

REFERENCES

REFERENCES

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PATENTS

PATENTS

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