Product Code

TRC-H938002

Product Format

Neat

Molecular Formula

C26 D4 H23 N5 O7 S

Molecular Weight

557.611

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

253688-62-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Hydroxy Desmethyl Bosentan-d4

Molecular Formula

C26 D4 H23 N5 O7 S

Molecular Weight

557.611

Accurate Mass

557.188

SMILES

[2H]C([2H])(O)C([2H])([2H])Oc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)c1Oc3ccccc3O)c4ncccn4

InChI

InChI=1S/C26H27N5O7S/c1-26(2,16-33)17-8-10-18(11-9-17)39(35,36)31-22-21(38-20-7-4-3-6-19(20)34)25(37-15-14-32)30-24(29-22)23-27-12-5-13-28-23/h3-13,32-34H,14-16H2,1-2H3,(H,29,30,31)/i14D2,15D2

IUPAC

4-(1-hydroxy-2-methylpropan-2-yl)-N-[5-(2-hydroxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide

Unlabelled CAS Number

253688-62-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Hydroxy Desmethyl Bosentan-d4

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