Evans Blue

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 290
Total Number of Articles : 341
PubChem 135436520
Molecular Formula

C34H28N6NaO14S4+

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+]

InChI

InChI=1S/C34H28N6O14S4.Na/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;+1

synonyms
  • Diazobleu
  • Evablin
  • evans blue
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Properties
Property Value
MW 895.9 g/mol
HBD 8
HBA 20
Rotatable Bond Count 9
Exact Mass 895.04440356 g/mol
Monoisotopic Mass 895.04440356 g/mol
Heavy Atom Count 59
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 1840
xlogp None
Topological Polar Surface Area 393