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Substance Name: Aconitine hydrochloride
RN: 6055-69-2
UNII: DFU5RIN74Y
InChIKey: GTRQCTQDPIUIMX-PHFVEKHWSA-N

Molecular Formula

  • C34-H47-N-O11.Cl-H

Molecular Weight

  • 682.2022
 
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Names and Synonyms

Results Name

  • Aconitine hydrochloride

Name of Substance

  • Aconitine hydrochloride

Synonyms

  • Aconitine HCl
  • Aconitine hydrochloride
  • EINECS 227-978-3
  • UNII-DFU5RIN74Y

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 6055-69-2

FDA UNII

  • DFU5RIN74Y

System Generated Number

  • 0006055692

Molecular Formulas

Molecular Formula

  • C34-H47-N-O11.Cl-H

Molecular Formula Fragments

  • C34-H47-N-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H47NO11.ClH/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33;/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3;1H/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-;/m1./s1

InChIKey

GTRQCTQDPIUIMX-PHFVEKHWSA-N

Smiles

Cl.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c7ccccc7

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 280ug/kg (0.28mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 35, Pg. 316, 1936.
cat LDLo subcutaneous 134ug/kg (0.134mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
frog LDLo subcutaneous 586ug/kg (0.586mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
guinea pig LDLo subcutaneous 112ug/kg (0.112mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
pigeon LDLo subcutaneous 45500ng/kg (0.0455mg/kg)   "Ueber die Wirkung Verschiedener Gifte Auf Vogel, Dissertation," Forchheimer, L., Pharmakologischen Institut der Universitat Wurzburg, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.
rabbit LDLo intravenous 40ug/kg (0.04mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

CARDIAC: PULSE RATE
Journal of Drug Research. Vol. 7(3), Pg. 147, 1975.
rabbit LDLo parenteral 1ug/kg (0.001mg/kg) CARDIAC: PULSE RATE

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Journal of Drug Research. Vol. 7(3), Pg. 147, 1975.