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Substance Name: Benzoylmesaconine hydrobromide
RN: 71402-61-4
InChIKey: HLUKKMODMMCDMM-ZYNJUQTISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H43-N-O10.Br-H

Molecular Weight

  • 670.5896
 
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Names and Synonyms

Results Name

  • Benzoylmesaconine hydrobromide

Synonym

  • Benzoylmesaconine hydrobromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71402-61-4

System Generated Number

  • 0071402614

Molecular Formulas

Molecular Formula

  • C31-H43-N-O10.Br-H

Molecular Formula Fragments

  • Br-H
  • C31-H43-N-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C31H43NO10.BrH/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30;/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3;1H/t16-,17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-;/m1./s1

InChIKey

HLUKKMODMMCDMM-ZYNJUQTISA-N

Smiles

CN1C[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 273mg/kg (273mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Tohoku Journal of Experimental Medicine. Vol. 128, Pg. 175, 1979.
mouse LD50 intravenous 24mg/kg (24mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Tohoku Journal of Experimental Medicine. Vol. 128, Pg. 175, 1979.
mouse LD50 oral 921mg/kg (921mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Tohoku Journal of Experimental Medicine. Vol. 128, Pg. 175, 1979.
mouse LD50 subcutaneous 262mg/kg (262mg/kg) BEHAVIORAL: ATAXIA

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