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N-Octyl Nortadalafil

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For Research Use Only | Not For Clinical Use
CATAPS1173706358
CAS1173706-35-8
Structure
SynonymsN-Octylnortadalafil,Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-octyl-, (6R,12aR)-
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-octyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular Weight487.59
Molecular FormulaC29H33N3O4
Canonical SMILESCCCCCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5ccc6OCOc6c5)C1=O
InChIInChI=1S/C29H33N3O4/c1-2-3-4-5-6-9-14-31-17-26(33)32-23(29(31)34)16-21-20-10-7-8-11-22(20)30-27(21)28(32)19-12-13-24-25(15-19)36-18-35-24/h7-8,10-13,15,23,28,30H,2-6,9,14,16-18H2,1H3/t23-,28-/m1/s1
Accurate Mass487.2471
FormatNeat
SubcategoryChiral molecules, Enzyme inhibitors
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