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Thiosildenafil-[d3]

General Information
Catalog: BLP-007428
CAS: 1216671-11-2
Molecular Formula: C22H27D3N6O3S2
Molecular Weight: 493.66
Chemical Structure
Thiosildenafil-[d3]
Description Thiosildenafil-[d3] is an isotopic labelled form of Thiosildenafil. Thiosildenafil is a novel PDE5 inhibitor of pyrazolopyrimidinethione class and is an analog of sildenafil.
Synonyms 5-[2-Ethoxy-5-[(4-(methyl-d3)-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidine-7-thione; 1-[[3-(4,7-Dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-(methyl-d3)piperazine
IUPAC Name 5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione
Related CAS 479073-79-5 (unlabelled)
Canonical SMILES CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C
InChI InChI=1S/C22H30N6O3S2/c1-5-7-17-19-20(27(4)25-17)22(32)24-21(23-19)16-14-15(8-9-18(16)31-6-2)33(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,32)/i3D3
InChI Key LJUBVCQVNMLSTQ-HPRDVNIFSA-N
Melting Point 180-183°C
Solubility Soluble in Chloroform (Slightly), Methanol (Slightly, Heated)
Appearance Off-white to Yellow Solid
Storage Store at -20°C

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