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Product Overview

Product Code

TRC-D499520

Product Format

Neat

Molecular Formula

C18 H33 N5 O7 S . x(C2 H F3 O2)

Molecular Weight

577.6

Product Categories

TRC, Thiols

Alternate CAS Number

865470-67-3

Documentation

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Product Information

Chemical Data

Analyte Name

DO3A-Thiol TFA Salt

Molecular Formula

C18 H33 N5 O7 S . x(C2 H F3 O2)

Molecular Weight

577.6

SMILES

OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCS)CCN(CC(=O)O)CC1.OC(=O)C(F)(F)F

InChI

InChI=1S/C18H33N5O7S.C2HF3O2/c24-15(19-1-10-31)11-20-2-4-21(12-16(25)26)6-8-23(14-18(29)30)9-7-22(5-3-20)13-17(27)28;3-2(4,5)1(6)7/h31H,1-14H2,(H,19,24)(H,25,26)(H,27,28)(H,29,30);(H,6,7)

IUPAC

2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-sulfanylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2,2,2-trifluoroacetic acid

Alternate CAS Number

865470-67-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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