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Product Overview

Product Code

TRC-S200120

CAS Number

1583289-85-3

Product Format

Neat

Molecular Formula

C20H26N4O6S . 3HCl

Molecular Weight

559.9

Product Categories

TRC

Product Type

Bioactive Small Molecule

Alternate CAS Number

147597-66-8

Documentation

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Product Information

Chemical Data

Analyte Name

p-SCN-Bn-NOTA Trihydrochloride, Technical Grade

CAS Number

1583289-85-3

Molecular Formula

C20H26N4O6S . 3HCl

Molecular Weight

559.9

Accurate Mass

558.0873

SMILES

Cl.Cl.Cl.OC(=O)CN1CCN(CC(=O)O)CC(Cc2ccc(cc2)N=C=S)N(CC(=O)O)CC1

InChI

InChI=1S/C20H26N4O6S.3ClH/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31;;;/h1-4,17H,5-13H2,(H,25,26)(H,27,28)(H,29,30);3*1H

IUPAC

2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid;trihydrochloride

Alternate CAS Number

147597-66-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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