Product Code

TRC-R520002

CAS Number

1304478-72-5

Product Format

Neat

Molecular Formula

C20H16D3FN8O2

Molecular Weight

425.43

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

625115-55-1

Price and availability

48-hour USA dispatch time

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Product Information

Chemical Data

Analyte Name

Riociguat-d3

CAS Number

1304478-72-5

Molecular Formula

C20H16D3FN8O2

Molecular Weight

425.43

Accurate Mass

425.18

SMILES

NC1=C(C(N)=NC(C2=NN(C3=C2C=CC=N3)CC4=C(C=CC=C4)F)=N1)N(C(OC)=O)C([2H])([2H])[2H]

InChI

InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)/i1D3

IUPAC

methyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl-d3)carbamate

Unlabelled CAS Number

625115-55-1

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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