Trypan Blue (Technical Grade)

Analyte Name

Trypan Blue

CAS Number

72-57-1

Molecular Formula

C34 H24 N6 O14 S4 . 4 Na

Molecular Weight

960.80

Accurate Mass

959.9824

SMILES

[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)c4

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/b39-37+,40-38+;;;;

IUPAC

tetrasodium;5-amino-3-[(E)-[4-[4-[(E)-(8-amino-1-hydroxy-3,6-disulfonato-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo]-4-hydroxy-naphthalene-2,7-disulfonate

Alternate CAS Number

Free base: 2538-83-2

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Trypan Blue