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Substance Name: Allapinin
RN: 97792-45-5
UNII: HTD60494V5
InChIKey: CFFYROOPXPKMEQ-IPZKEBFRSA-N

Note

  • Russian drug.

Molecular Formula

  • C32-H44-N2-O8.Br-H

Molecular Weight

  • 665.6175
 

Classification Codes

  • Anti-Arrhythmia Agents
  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Peripheral Nervous System Agents
  • Respiratory System Agents
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Names and Synonyms

Name of Substance

  • Allapinin

Synonyms

  • Allapinin
  • Allapinine
  • Lappaconiti hydrobromidum
  • Lappaconitine hydrobromide
  • UNII-HTD60494V5

Systematic Names

  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), monohydrobromide, (1-alpha,14-alpha,16-beta)-
  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethyoxy-, 4-(2-(acetylamino)benzoate), monohydrobromide, (1alpha,14alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 97792-45-5

FDA UNII

  • HTD60494V5

System Generated Number

  • 0097792455

Molecular Formulas

Molecular Formula

  • C32-H44-N2-O8.Br-H

Molecular Formula Fragments

  • Br-H
  • C32-H44-N2-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C32H44N2O8.BrH/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5;/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35);1H/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+;/m1./s1

InChIKey

CFFYROOPXPKMEQ-IPZKEBFRSA-N

Smiles

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)c7ccccc7NC(=O)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8400ug/kg (8.4mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 19, Pg. 24, 1984.
mouse LD50 oral 35500ug/kg (35.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 892, 1988.
mouse LD50 subcutaneous 11700ug/kg (11.7mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 19, Pg. 24, 1984.
rabbit LD50 oral 16300ug/kg (16.3mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(1), Pg. 30, 1991.
rat LC inhalation > 400mg/m3 (400mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(1), Pg. 30, 1991.
rat LD50 oral 47500ug/kg (47.5mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(1), Pg. 30, 1991.