Ranitidine N-Oxide

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Properties Simple | Detailed

Formula C13H22N4O4S
IUPAC Name n,n-dimethyl-1-[5-[2-[[(e)-1-(methylamino)-2-nitro-vinyl]amino]ethylsulfanylmethyl]-2-furyl]methanamine oxide
Molecular Mass 330.403 g·mol−1
Heat of Formation -92.9 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 394.0 Å 3
Surface Area 318.91 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-ethenediamine, n-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-n'-methyl-2-nitro-, n-oxide
  • 1,1-ethenediamine, n-(2-(((5-((dimethyloxidoamino)methyl)-2-furanyl)methyl)thio)ethyl)-n'-methyl-2-nitro-
  • n,n-dimethyl-1-[5-[2-[[(e)-1-methylamino-2-nitro-ethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide
  • n,n-dimethyl-1-[5-[2-[[(e)-1-methylamino-2-nitro-vinyl]amino]ethylsulfanylmethyl]-2-furyl]methanamine oxide
  • n,n-dimethyl-1-[5-[2-[[(e)-1-methylamino-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide
  • n,n-dimethyl-1-[5-[[2-[[(e)-1-methylamino-2-nitro-vinyl]amino]ethylthio]methyl]-2-furyl]methanamine oxide
  • n,n-dimethyl-1-[5-[[2-[[(e)-1-methylamino-2-nitrovinyl]amino]ethylthio]methyl]-2-furyl]methanamine oxide
CAS Number(s)
  • 73857-20-2
InChIKey DFJVUWAHTQPQCV-MDWZMJQESA-N
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