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Substance Name: Lappaconitine diacetate
RN: 138729-51-8
InChIKey: JPENFIXEWVYNHG-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C36-H48-N2-O10

Molecular Weight

  • 668.7792
 
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Names and Synonyms

Results Name

  • Lappaconitine diacetate

Synonyms

  • 8,9-Diacetyllappaconitine
  • BRN 4777002
  • Lappaconitine 8,9-diacetate
  • Lappaconitine diacetate

Systematic Name

  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), 8,9-diacetate, (1-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 138729-51-8

System Generated Number

  • 0138729518

Structure Descriptors

InChI

1S/C36H48N2O10/c1-8-38-18-33(48-32(42)22-11-9-10-12-25(22)37-19(2)39)14-13-29(44-6)35-27(33)16-24(30(35)38)34(46-20(3)40)17-26(43-5)23-15-28(35)36(34,31(23)45-7)47-21(4)41/h9-12,23-24,26-31H,8,13-18H2,1-7H3,(H,37,39)

InChIKey

JPENFIXEWVYNHG-UHFFFAOYSA-N

Smiles

CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)OC(=O)C)OC)OC(=O)C)OC)OC(=O)c7ccccc7NC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14500ug/kg (14.5mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.