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Evans blue

CAT: 0926-FE47135-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FE47135-01Size:100 g
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CAS Number
314-13-6
Synonyms
Direct blue 53; CI 2386
MDL Number
MFCD00004021
Smiles
CC1=C (C=CC (=C1) C2=CC (=C (C=C2) N=NC3=C (C4=C (C=C3) C (=CC (=C4N) S (=O) (=O) [O-]) S (=O) (=O) [O-]) O) C) N=NC5=C (C6=C (C=C5) C (=CC (=C6N) S (=O) (=O) [O-]) S (=O) (=O) [O-]) O.[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C34H24N6O14S4Na4
Molecular Weight
960.81 g/mol
Controlled
No

Chemical Information

C.I. Direct Blue 53

Evans blue is an organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. It has a role as a sodium channel blocker, a teratogenic agent, a fluorochrome and a histological dye. It contains an Evans blue(4-).

CAS Number314-13-6
PubChem CID9409
IUPAC Nametetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
Molecular FormulaC34H24N6Na4O14S4
Molecular Weight960.8
Topological Polar Surface Area404
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count5
Heavy Atom Count62
Formal Charge0
Complexity1790
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)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
ATNOAWAQFYGAOY-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of C.I. Direct Blue 53
CAS: 314-13-6
CID: 9409
Formula: C34H24N6Na4O14S4
MW: 960.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight960.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count5
Exact Mass959.9824113
Monoisotopic Mass959.9824113
Topological Polar Surface Area404 Ų
Heavy Atom Count62
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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MBS575572Evans blue
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