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Substance Name: Benzoylaconine hydrobromide
RN: 71402-60-3
InChIKey: NWVIZUQVKMNDEM-DKZYXKNHSA-N

Note

  • Alkaloid isolated from Aconitum carmichaeli.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H45-N-O10.Br-H

Molecular Weight

  • 684.6164
 
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Names and Synonyms

Results Name

  • Benzoylaconine hydrobromide

Synonyms

  • Benzaconine hydrobromide
  • Benzoylaconine hydrobromide
  • Isaconitine hydrobromide
  • Picraconitine hydrobromide
  • Pikraconitin hydrobromide

Systematic Name

  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate, hydrobromide, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 71402-60-3

System Generated Number

  • 0071402603

Molecular Formulas

Molecular Formula

  • C32-H45-N-O10.Br-H

Molecular Formula Fragments

  • Br-H
  • C32-H45-N-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C32H45NO10.BrH/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31;/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3;1H/t17-,18-,19+,20-,21?,22+,23-,24?,25+,26-,27+,29+,30-,31?,32-;/m1./s1

InChIKey

NWVIZUQVKMNDEM-DKZYXKNHSA-N

Smiles

CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 79mg/kg (79mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Tohoku Journal of Experimental Medicine. Vol. 128, Pg. 175, 1979.
mouse LD50 intravenous 26mg/kg (26mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Tohoku Journal of Experimental Medicine. Vol. 128, Pg. 175, 1979.