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Substance Name: 3-Acetylaconitine
RN: 77181-26-1
InChIKey: RIPYIJVYDYCPKW-ULGIIADISA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C36-H49-N-O12

Molecular Weight

  • 687.778
 
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Names and Synonyms

Name of Substance

  • 3-Acetylaconitine

Synonyms

  • 3-Acetylaconitine
  • Aconitine 3-acetate
  • Aconitine 3-monoacetate
  • Flaconitine

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 77181-26-1

Related Registry Number

  • 78600-25-6 (hydrobromide)

System Generated Number

  • 0077181261

Structure Descriptors

InChI

1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22?,23?,24-,25?,26?,27-,28+,29?,30?,31+,33?,34-,35?,36-/m1/s1

InChIKey

RIPYIJVYDYCPKW-ULGIIADISA-N

Smiles

C1[C@H]2[C@@]34[C@H]5[C@@]([C@@H](OC(C)=O)C[C@@H]4OC)(C[N@@]([C@H]3[C@@H]([C@@H]5OC)[C@@]3([C@H]2[C@@H](OC(c2ccccc2)=O)[C@@]1([C@H](OC)[C@@H]3O)O)OC(C)=O)CC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 30ug/kg (0.03mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
mouse LD50 intraperitoneal 500ug/kg (0.5mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 2, Pg. 170, 1981.
mouse LD50 intravenous 400ug/kg (0.4mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE WEAKNESS
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
mouse LD50 oral 2500ug/kg (2.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING

GASTROINTESTINAL: NAUSEA OR VOMITING
Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 2, Pg. 83, 1981.
mouse LD50 subcutaneous 700ug/kg (0.7mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
rabbit LDLo intramuscular 200ug/kg (0.2mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
rabbit LDLo intravenous 30ug/kg (0.03mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

CARDIAC: CHANGE IN RATE
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
rat LD50 intraperitoneal 310ug/kg (0.31mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
rat LD50 oral 2300ug/kg (2.3mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE WEAKNESS
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
rat LD50 subcutaneous 490ug/kg (0.49mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Zhongguo Yaolixue Yu Dulixue Zazhi. Vol. 1, Pg. 123, 1987.
rat LDLo intravenous 410mg/kg (410mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 19, Pg. 641, 1984.