Riociguat-[13C,d3]

General Information
Catalog: BLP-005989
Molecular Formula: C19[13C]H16D3FN8O2
Molecular Weight: 426.43
Related CAS: 625115-55-1 (unlabelled)
Description A labelled Riociguat. Riociguat is used in the treatment of pulmonary hypertension.
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-13C-d3; BAY 63-2521-13C-d3; BAY 632521-13C-d3; Methyl [4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]methylcarbamate-13C-d3
IUPAC Name methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-(trideuterio(1-13C)methyl)carbamate
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)/i1+1D3
InChI Key WXXSNCNJFUAIDG-KQORAOOSSA-N
Melting Point 264-266°C
Purity ≥90%
Solubility Soluble in DMSO
Appearance Light Brown Solid

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