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Product Overview

Product Code

TRC-I778502

Product Format

Neat

Molecular Formula

C44 D9 H50 N7 O5

Molecular Weight

775.039

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

154702-15-5

Documentation

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Product Information

Chemical Data

Analyte Name

Iscotrizinol-(tert-Butyl-d9)

Molecular Formula

C44 D9 H50 N7 O5

Molecular Weight

775.039

Accurate Mass

774.514

SMILES

[2H]C([2H])([2H])C(NC(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(=O)OCC(CC)CCCC)nc(Nc4ccc(cc4)C(=O)OCC(CC)CCCC)n2)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)/i5D3,6D3,7D3

IUPAC

2-ethylhexyl 4-[[4-[4-(2-ethylhexoxycarbonyl)anilino]-6-[4-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbamoyl]anilino]-1,3,5-triazin-2-yl]amino]benzoate

Unlabelled CAS Number

154702-15-5

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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