Acetildenafil-N-Boc-N-desethyl

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For Research Use Only | Not For Clinical Use
CATAPS1246820461
CAS1246820-46-1
Structure
Synonyms4-[2-[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]-2-oxoethyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester, N-Boc-N-desethyl Acetildenafil
IUPAC Nametert-butyl 4-[2-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-2-oxoethyl]piperazine-1-carboxylate
Molecular Weight538.64
Molecular FormulaC28H38N6O5
Canonical SMILESCCCc1nn(C)c2C(=O)N=C(Nc12)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)C(=O)OC(C)(C)C
InChIInChI=1S/C28H38N6O5/c1-7-9-20-23-24(32(6)31-20)26(36)30-25(29-23)19-16-18(10-11-22(19)38-8-2)21(35)17-33-12-14-34(15-13-33)27(37)39-28(3,4)5/h10-11,16H,7-9,12-15,17H2,1-6H3,(H,29,30,36)
Accurate Mass538.2904
FormatNeat
Product TypeMetabolite
SubcategoryPharmaceutical and veterinary compounds and metabolites
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