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Product Overview

Product Code

TRC-B592000

CAS Number

2519-30-4

Product Format

Neat

Molecular Formula

C28 H17 N5 O14 S4 . 4 Na

Molecular Weight

867.68

Product Categories

TRC, Dye and Metabolite Reference Materials and Research Chemicals, Health and Personal Care Reference Materials, Adenosine receptors, Huntington's, Parkinson's, Sleep, Stroke, Pharmaceutical Toxicology Reference Materials , Stains & dyes

Product Type

Metabolite, Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Brilliant Black BN

CAS Number

2519-30-4

Molecular Formula

C28 H17 N5 O14 S4 . 4 Na

Molecular Weight

867.68

Accurate Mass

866.9246

SMILES

[Na+].[Na+].[Na+].[Na+].CC(=O)Nc1ccc(c2cc(c(N=Nc3ccc(N=Nc4ccc(cc4)S(=O)(=O)[O-])c5ccc(cc35)S(=O)(=O)[O-])c(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4

IUPAC

tetrasodium;4-acetamido-5-hydroxy-6-[(E)-[7-sulfonato-4-[(Z)-(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

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Black PN (~80%)

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