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Substance Name: Lappaconine
RN: 23943-93-3
InChIKey: PTILZYWJYHNZDS-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H37-N-O6

Molecular Weight

  • 423.546
 
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Names and Synonyms

Results Name

  • Lappaconine

Synonyms

  • 20-Ethyl-1-alpha,14-alpha,16-beta-trimethoxyaconitane-4,8,9-triol
  • 4-21-00-02850 (Beilstein Handbook Reference)
  • BRN 0045713
  • Lappaconine
  • O(sup 1)-Methyllappaconidine

Systematic Name

  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, (1-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 23943-93-3

System Generated Number

  • 0023943933

Structure Descriptors

InChI

1S/C23H37NO6/c1-5-24-10-21(26)7-6-14(29-3)23-12-8-11-13(28-2)9-22(27,15(12)18(11)30-4)16(20(23)24)17(25)19(21)23/h11-20,25-27H,5-10H2,1-4H3

InChIKey

PTILZYWJYHNZDS-UHFFFAOYSA-N

Smiles

O[C@@]12[C@@H]3[C@@]4([C@@H](CC1)OC)[C@@H]([C@@H]([C@@]1(C[C@@H](OC)[C@@H]5[C@@H]([C@@H]1[C@@H]4C5)OC)O)[C@@H]3O)[N@@](CC)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 142mg/kg (142mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.