(8Ar,12As,13As)-3-Methoxy-12-(Methylsulfonyl)-5,8,8A,9,10,11,12,12A,13,13A-Decahydro-6H-Isoquino[2,1-G][1,6]Naphthyridine

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Properties Simple | Detailed

Formula C18H26N2O3S
IUPAC Name (7r,8ar,12as,13as)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
Molecular Mass 350.476 g·mol−1
Heat of Formation -447.3 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 411.16 Å 3
Surface Area 345.5 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-6h-isoquino(2,1-g)(1,6)naphthyridine
  • 6h-isoquino(2,1-g)(1,6)naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aalpha,12aalpha,13aalpha)- (+-)-
  • 6h-isoquino[2,1-g][1,6]naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8ar,12as,13as)-
  • dmmin
  • rel-(8ar,12as,13as)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6h-isoquino[2,1-g]-1,6-naphthyridine
  • rs 15385-197
  • rs-15385-197
CAS Number(s)
  • 119813-87-5
InChIKey JKDBLHWERQWYKF-JLSDUUJJSA-N
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