(1S,8R,9S)-1-[3-(Methylamino)Propyl]-16-Oxatetracyclo[7.6.1.0~2,7~.0~10,15~]Hexadeca-2,4,6,10,12,14-Hexaen-8-Ol

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Properties Simple | Detailed

Formula C19H21NO2
IUPAC Name (1s,8r,9s)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.0 2,7 .0 10,15 ]hexadeca-2,4,6,10,12,14-hexaen-8-ol
Molecular Mass 295.376 g·mol−1
Heat of Formation -153.3 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 362.69 Å 3
Surface Area 317.58 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,10alpha,11beta)-10,11-dihydro-5-(3-(methylamino)propyl)-5,10-epoxy-5h-dibenzo(a,d)cyclohepten-11-0l, (z)-2-butenedioate (1:1) salt
  • mk-940
  • trans-10,11-dihydro-5,10-epoxy-5-(3-(methylamino)propyl)-5h-dibenzo(a,d)cyclohepten-11-ol hydrogen maleate
CAS Number(s)
  • 5154-92-7
InChIKey UOKCFJSKJHPUDQ-QYZOEREBSA-N
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