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Substance Name: Benzoylhypaconine hydrobromide
RN: 71402-62-5
InChIKey: MIQLJRZMAHBESK-SVWIVGOJSA-N

Note

  • Aconitum alkaloid in serum.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H43-N-O9.Br-H

Molecular Weight

  • 654.5906
 
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Names and Synonyms

Results Name

  • Benzoylhypaconine hydrobromide

Synonym

  • Benzoylhypaconine hydrobromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71402-62-5

System Generated Number

  • 0071402625

Molecular Formulas

Molecular Formula

  • C31-H43-N-O9.Br-H

Molecular Formula Fragments

  • Br-H
  • C31-H43-N-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C31H43NO9.BrH/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30;/h6-10,17-26,33,35-36H,11-15H2,1-5H3;1H/t17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-;/m1./s1

InChIKey

MIQLJRZMAHBESK-SVWIVGOJSA-N

Smiles

CN1C[C@@]2(CC[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)COC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 137mg/kg (137mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
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.
mouse LD50 oral 947mg/kg (947mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Tohoku Journal of Experimental Medicine. Vol. 128, Pg. 175, 1979.
mouse LD50 subcutaneous 148mg/kg (148mg/kg) BEHAVIORAL: ATAXIA

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