(15Ar)-4-(4-Aminobutyl)Octadecahydropyrido[1,2-E][1,5]Diazacycloheptadecin-5(6H)-One

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Properties Simple | Detailed

Formula C23H45N3O
IUPAC Name (1s,17r)-5-(4-aminobutyl)-1,5-diazabicyclo[15.4.0]henicosan-6-one
Molecular Mass 379.623 g·mol−1
Heat of Formation -473.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 534.56 Å 3
Surface Area 406.23 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
Synonyms
  • (17r)-5-(4-aminobutyl)-1,5-diazabicyclo[15.4.0]henicosan-6-one
  • oncinotine
  • pyrido(1,2-e)(1,5)diazacycloheptadecin-5(6h)-one, 4-(4-aminobutyl)octadecahydro-, (r)-
CAS Number(s)
  • 21008-79-7
InChIKey BMGOFEXYTOOWHE-JOCHJYFZSA-N
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