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Product Overview

Product Code

TRC-I697000

CAS Number

3599-32-4

Product Format

Neat

Molecular Formula

C43 H47 N2 O6 S2 . Na

Molecular Weight

774.96

API Family

Indocyanine Green

Product Categories

Stains & dyes, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite, Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Indocyanine Green

CAS Number

3599-32-4

Molecular Formula

C43 H47 N2 O6 S2 . Na

Molecular Weight

774.96

Accurate Mass

774.2773

SMILES

[Na+].CC1(C)\C(=C\C=C\C=C\C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)\N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c15

InChI

InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1

IUPAC

sodium;4-[(2Z)-2-[(2E,4E,6Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Indocyanine Green

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Product Overview

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Chemical Data

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Indocyanine Green (~90%)

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