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Deferasirox-d4 (major)(Mixture of 6-hydroxyphenyl-d4 isomers)

Product Code

TRC-D228653

Product Format

Neat

Molecular Formula

2 C21 D4 H11 N3 O4

Molecular Weight

754.772

Product Categories

TRC, Stable isotopes

Alternate CAS Number

mix: 1133425-79-2 & 1133425-77-0

Unlabelled CAS Number

201530-41-8

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

Deferasirox-d4 (major)(Mixture of 6-hydroxyphenyl-d4 isomers)

Molecular Formula

2 C21 D4 H11 N3 O4

Molecular Weight

754.772

Accurate Mass

754.263

SMILES

[2H]c1c([2H])c([2H])c(c(O)c1[2H])c2nc(c3ccccc3O)n(n2)c4ccc(cc4)C(=O)O.[2H]c5c([2H])c([2H])c(c(O)c5[2H])c6nc(nn6c7ccc(cc7)C(=O)O)c8ccccc8O

InChI

InChI=1S/2C21H15N3O4/c2*25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h2*1-12,25-26H,(H,27,28)/i2D,4D,6D,8D;1D,3D,5D,7D

IUPAC

4-[3-(2-hydroxyphenyl)-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid;4-[5-(2-hydroxyphenyl)-3-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid

Alternate CAS Number

mix: 1133425-79-2 & 1133425-77-0

Unlabelled CAS Number

201530-41-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Labelled orally active tridentate iron chelator.

References: Hershko, C., et al.: Blood, 97, 1115 (2001), Galanello, R., et al.: J. Clin. Pharmacol., 43, 565 (2003), Nick, H., et al.: Curr. Med. Chem., 10, 1065 (2003),

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