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Product Overview

Product Code

TRC-R637302

Product Format

Neat

Molecular Formula

C25 D3 H20 N5 O2 S . C H4 O3 S

Molecular Weight

556.672

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

138489-18-6

Documentation

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Product Information

Chemical Data

Analyte Name

3-[3-[2,5-dioxo-4-[1-(trideuteriomethyl)indol-3-yl]pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate methanesulfonic acid

Molecular Formula

C25 D3 H20 N5 O2 S . C H4 O3 S

Molecular Weight

556.672

Accurate Mass

556.164

SMILES

[2H]C([2H])([2H])n1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15.CS(=O)(=O)O

InChI

InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)/i1D3;

IUPAC

3-[3-[2,5-dioxo-4-[1-(trideuteriomethyl)indol-3-yl]pyrrol-3-yl]indol-1-yl]propyl carbamimidothioate;methanesulfonic acid

Unlabelled CAS Number

138489-18-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Ro 31-8220 Mesylate-d3

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