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Substance Name: Acomonine hydrochloride
RN: 58111-33-4
InChIKey: HPCUFELRLSMRHW-GOMRWUHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H41-N-O7.Cl-H

Molecular Weight

  • 504.06
 
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Names and Synonyms

Results Name

  • Acomonine hydrochloride

Synonyms

  • Acomonine hydrochloride
  • Delsoline hydrochloride
  • O(sup 14)-Methyliliensine hydrochloride

Systematic Name

  • Aconitane-1,7,8-triol, 20-ethyl-4-(methoxymethyl)-6,14,16-trimethoxy-, monohydrochloride, (1-alpha,6-beta,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 58111-33-4

System Generated Number

  • 0058111334

Molecular Formulas

Molecular Formula

  • C25-H41-N-O7.Cl-H

Molecular Formula Fragments

  • C25-H41-N-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H41NO7.ClH/c1-6-26-12-21(13-30-2)8-7-17(27)24-16-9-14-10-22(16,33-5)23(28,11-15(14)31-3)25(29,20(24)26)19(32-4)18(21)24;/h14-20,27-29H,6-13H2,1-5H3;1H/t14-,15-,16+,17?,18+,19-,20+,21?,22?,23+,24?,25?;/m0./s1

InChIKey

HPCUFELRLSMRHW-GOMRWUHWSA-N

Smiles

C1[C@H]2[C@@]34[C@@H]5[C@H](OC)[C@]([C@@H]3[N@@H+](CC)C[C@@]5(CC[C@@H]4O)COC)([C@@]3(C[C@@H]([C@H]1C[C@@]23OC)OC)O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 329mg/kg (329mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 6, Pg. 37, 1985.
mouse LD50 intravenous 117mg/kg (117mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 6, Pg. 37, 1985.