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Substance Name: N,N-dimethyltrilobine
RN: 79819-99-1
InChIKey: SSLIBTJWGQIYDF-WIFSAEPPSA-N

Molecular Formula

  • C37-H39-N2-O5.H-I.I

Molecular Weight

  • 847.5399
 
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Names and Synonyms

Name of Substance

  • N,N-dimethyltrilobine

Synonyms

  • 6',7-Epoxy-6,12'-dimethoxy-2,2',2'-trimethyloxyacanthanium iodide hydroiodide
  • Dimethyltrilobine iodide
  • N,N-Dimethyltrilobine iodide
  • Trilobine dimethiodide

Systematic Names

  • 2H-22,26-Epoxy-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-j)isoquinoline, oxyacanthanium deriv.
  • Oxyacanthanium, 6',7-epoxy-6,12'-dimethoxy-2,2',2'-trimethyl-, iodide, hydriodide, (1'alpha)-

Registry Numbers

CAS Registry Number

  • 79819-99-1

Other Registry Numbers

  • 110675-60-0
  • 91297-95-9

System Generated Number

  • 0079819991

Molecular Formulas

Molecular Formula

  • C37-H39-N2-O5.H-I.I

Molecular Formula Fragments

  • C37-H39-N2-O5
  • COMPONENT
  • H-I
  • I

Structure Descriptors

InChI

1S/C37H39N2O5.2HI/c1-38-14-12-25-20-34(41-5)36-37-35(25)28(38)16-22-6-9-26(10-7-22)42-31-18-23(8-11-30(31)40-4)17-29-27-21-33(44-37)32(43-36)19-24(27)13-15-39(29,2)3;;/h6-11,18-21,28-29H,12-17H2,1-5H3;2*1H/q+1;;/t28-,29+;;/m1../s1

InChIKey

SSLIBTJWGQIYDF-WIFSAEPPSA-N

Smiles

I.[I-].COc1ccc2C[C@H]3c4cc5Oc6c(Oc5cc4CC[N+]3(C)C)c(OC)cc7CC[NH+](C)[C@H](Cc8ccc(Oc1c2)cc8)c67