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Substance Name: Benzoylaconine
RN: 466-24-0
UNII: 369U7A6HXD
InChIKey: DHJXZSFKLJCHLH-BMTFSNIDSA-N

Note

  • Alkaloid isolated from Aconitum carmichaeli.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H45-N-O10

Molecular Weight

  • 603.7045
 
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Names and Synonyms

Name of Substance

  • Benzoylaconine

Synonyms

  • 4-21-00-02901 (Beilstein Handbook Reference)
  • Benzaconine
  • Benzoylaconine
  • BRN 0073066
  • Isaconitine
  • Pikraconitin
  • UNII-369U7A6HXD

Systematic Name

  • Picraconitine

Registry Numbers

CAS Registry Number

  • 466-24-0

FDA UNII

  • 369U7A6HXD

System Generated Number

  • 0000466240

Structure Descriptors

InChI

1S/C32H45NO10/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/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1

InChIKey

DHJXZSFKLJCHLH-BMTFSNIDSA-N

Smiles

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@@](O)([C@H]5[C@H]6OC(=O)c7ccccc7)[C@@H]([C@H](OC)[C@H]23)[C@@H]14

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 24mg/kg (24mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 324, 1955.
guinea pig LD50 intravenous 24mg/kg (24mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 324, 1955.
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 intravenous 10100ug/kg (10.1mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 19, Pg. 641, 1984.
rat LD50 intravenous 27mg/kg (27mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 324, 1955.