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N-Butylnortadalafil

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For Research Use Only | Not For Clinical Use
CATAPS171596319A
CAS171596-31-9
SynonymsPyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2-butyl-2,3,6,7,12,12a-hexahydro-, (6R,12aR)-, Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2-butyl-2,3,6,7,12,12a-hexahydro-, (6R-trans)-
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-butyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular Weight431.48
Molecular FormulaC25H25N3O4
Canonical SMILESCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5ccc6OCOc6c5)C1=O
InChIInChI=1S/C25H25N3O4/c1-2-3-10-27-13-22(29)28-19(25(27)30)12-17-16-6-4-5-7-18(16)26-23(17)24(28)15-8-9-20-21(11-15)32-14-31-20/h4-9,11,19,24,26H,2-3,10,12-14H2,1H3/t19-,24-/m1/s1
Accurate Mass431.1845
FormatNeat
SubcategoryPharmaceutical and veterinary compounds and metabolites
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