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3-Acetylaconitine

3-Acetylaconitine structure

CAS No:
77181-26-1
Formula:
C36H49NO12
Chemical Name:
3-Acetylaconitine
Synonyms:
Aconitane-3,8,13,14,15-pentol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,3,8-diacetate 14-benzoate,(1α,3α,6α,14α,15α,16β)-;11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14,15-pentol deriv.;Aconitine 3-acetate;3-Acetylaconitine;Aconitine 3-monoacetate;Flaconitine;Aconine 3,8-diacetate 14-benzoate;3-O-Acetylaconitine;Monoacetylaconitine
Categories:
Biochemical Engineering > Plant Extracts

Description

Flaconitine is isolated from the ammonium hydroxide wetted root of A.szechenyianum Gay. Flaconitine is considered to be a NF-κB inhibitor.

3-Acetylaconitine Basic Attributes

Molecular Weight：

687.778

Exact Mass：

687.77

Characteristics

PSA：

159.52000

XLogP3：

0.94

Density：

1.4±0.1 g/cm3

Melting Point：

196-197 °C

Boiling Point：

715.9±60.0 °C at 760 mmHg

Flash Point：

386.8±32.9 °C

Refractive Index：

1.599

Toxicity：

Oral-Rat LD50 2.3 mg/kg; Oral-Mouse LD50: 2.5 mg/kg

Flammability characteristics：

Combustible; Fire site decomposes toxic nitrogen oxide gas

Safety Information

Storage features：

Warehouse low temperature, ventilated, dry

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

3-acetylaconitine

Computed Properties

Molecular Weight:687.8
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:687.32547600
Monoisotopic Mass:687.32547600
Topological Polar Surface Area:160
Heavy Atom Count:49
Complexity:1320
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Not yet clear

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

Related Drugs

Acetylaconitine Tablets
Ingredients	The content of acetyl aconitine (C36H49NO12) in this product should be 90.0% to 110.0% of the labeled amount.
Indication	Drug interactions may occur if used with other drugs. Please consult your doctor or pharmacist for details.
Specifications	0.3mg

Acetylaconitine Tablets
Specifications	0.3 mg
Manufacturer	Shaanxi Traditional Chinese Medicine Research Institute Hantang Pharmaceutical C O., Ltd.

Acetylaconitine
Manufacturer	Gansu Lanyao Pharmaceutical Co., Ltd.

Registered Holders

Gansu Lanyao Pharmaceutical Co., Ltd.

China
Active
Shaanxi Traditional Chinese Medicine Research Institute Hantang Pharmaceutical C O., Ltd.

China
Active

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Guide of 3-Acetylaconitine

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Drug Function and Efficacy
Related Drugs
Registered Holders
Learn More Other Chemicals

3-Acetylaconitine

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