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Substance Name: Pseudoaconitine
RN: 127-29-7
UNII: 5483BY72RT
InChIKey: YVPYMQHYESYLIR-HZKWNRCISA-N

Note

  • Norditerpenoid alkaloid from Aconitum falconeri.

Classification Code

  • Natural Product

Molecular Formula

  • C36-H51-N-O12

Molecular Weight

  • 689.7939
 
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Names and Synonyms

Name of Substance

  • Pseudaconitine
  • Pseudoaconitine

Synonyms

  • 5-21-06-00309 (Beilstein Handbook Reference)
  • Acraconitine
  • BRN 0075720
  • English aconitine
  • Feraconitne
  • Nepal aconitine
  • Nepaline
  • Nepaul aconitine
  • Pseudaconitine
  • Pseudoaconitine
  • UNII-5483BY72RT

Systematic Name

  • Aconitane-3,8,13,14-tetrol, 20-ethy-4-(methoxymethyl)-1,6,16-trimethoxy, 8-acetate, 14-(3,4-dimethoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 127-29-7

FDA UNII

  • 5483BY72RT

Other Registry Number

  • 1369-10-4

System Generated Number

  • 0000127297

Structure Descriptors

InChI

1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30-,31-,33+,34+,35-,36+/m1/s1

InChIKey

YVPYMQHYESYLIR-HZKWNRCISA-N

Smiles

CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](C[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccc(OC)c(OC)c7)[C@@H]([C@H](OC)[C@H]23)[C@@H]14)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 360ug/kg (0.36mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.