Product Code

TRC-D291277

CAS Number

2748567-59-9

Product Format

Neat

Molecular Formula

C26H23D4N5O6S

Molecular Weight

541.62

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

253688-61-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Desmethyl Bosentan-d4

CAS Number

2748567-59-9

Molecular Formula

C26H23D4N5O6S

Molecular Weight

541.62

Accurate Mass

541.19

SMILES

O=S(NC1=NC(C2=NC=CC=N2)=NC(OC([2H])([2H])C([2H])([2H])O)=C1OC3=C(C=CC=C3)O)(C4=CC=C(C=C4)C(C)(C)C)=O

InChI

InChI=1S/C26H27N5O6S/c1-26(2,3)17-9-11-18(12-10-17)38(34,35)31-22-21(37-20-8-5-4-7-19(20)33)25(36-16-15-32)30-24(29-22)23-27-13-6-14-28-23/h4-14,32-33H,15-16H2,1-3H3,(H,29,30,31)/i15D2,16D2

IUPAC

4-(tert-butyl)-N-(6-(2-hydroxyethoxy-1,1,2,2-d4)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide

Unlabelled CAS Number

253688-61-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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