Riociguat-[d3]

General Information
Catalog: BLP-004143
CAS: 1304478-72-5
Molecular Formula: C20H16D3FN8O2
Molecular Weight: 425.43
Chemical Structure
Riociguat-[d3]
Description A stable labelled compound of Riociguat. Riociguat (BAY 63-2521; BAY 632521) is a novel drug that is currently in clinical development by Bayer. At the moment Phase III clinical trials investigate the use of riociguat as a new approach to treat two forms of pulmonary hypertension (PH): chronic thromboembolic pulmonary hypertension (CTEPH) and pulmonary arterial hypertension (PAH). Riociguat constitutes the first drug of a novel class of sGC stimulators.
Synonyms N-[4,6-Diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-methylcarbamic Acid Methyl Ester-d3;[4,6-Diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]methylcarbamic Acid Methyl Ester-d3; BAY 63-2521-d3; BAY 632521-d3; Methyl [4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]methylcarbamate-d3
IUPAC Name methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-(trideuteriomethyl)carbamate
Related CAS 625115-55-1 (unlabelled)
Canonical SMILES CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC
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
InChI Key WXXSNCNJFUAIDG-FIBGUPNXSA-N
Purity >98%

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