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CAS

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77181-26-1

Acetylaconitine is a toxic alkaloid derived from the Aconitum plant, also known as monkshood or wolfsbane. It is a potent neurotoxin that impacts the nervous system, leading to symptoms such as numbness, tingling, muscle weakness, and potentially life-threatening cardiac arrhythmias. Historically, it has been used as a poison and in traditional Chinese medicine for its analgesic and anti-inflammatory properties. However, due to its high toxicity, its use is strictly regulated, and it is not approved for medical use in most countries.

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  • 77181-26-1 Structure

  • Basic information

    1. Product Name: Acetylaconitine
    2. Synonyms: Acetylaconitine;ACETYLCONITINE;3-acetylaconitine;Aconine3,8-diacetate 14-benzoate;Aconitane-3,8,13,14,15-pentol,20-ethyl-1,6,16-;benzoate, (1α,3α,6α,14α,15α,16β)-;Flaconitine;trimethoxy-4-(methoxymethyl)-, 3,8-diacetate14-
    3. CAS NO:77181-26-1
    4. Molecular Formula: C36H49NO12
    5. Molecular Weight: 687.778
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 77181-26-1.mol

  • Chemical Properties

    1. Melting Point: 196-197 °C
    2. Boiling Point: 715.9 °C at 760 mmHg
    3. Flash Point: 386.8 °C
    4. Appearance: /
    5. Density: 1.36 g/cm3
    6. Vapor Pressure: 1.65E-21mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 12.09±0.70(Predicted)
    11. CAS DataBase Reference: Acetylaconitine(CAS DataBase Reference)
    12. NIST Chemistry Reference: Acetylaconitine(77181-26-1)
    13. EPA Substance Registry System: Acetylaconitine(77181-26-1)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 77181-26-1(Hazardous Substances Data)

77181-26-1 Usage

Uses

Used in Traditional Chinese Medicine:
Acetylaconitine is used as an analgesic and anti-inflammatory agent in traditional Chinese medicine for its pain-relieving and inflammation-reducing properties.
Used in Research:
Acetylaconitine is utilized in research for its potential pharmacological and toxicological effects, providing insights into the development of new drugs and understanding the mechanisms of its toxicity.
Note: Due to the high toxicity of Acetylaconitine, its use in any application is highly regulated and not approved for medical use in most countries.

Check Digit Verification of cas no

The CAS Registry Mumber 77181-26-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,1,8 and 1 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 77181-26:
(7*7)+(6*7)+(5*1)+(4*8)+(3*1)+(2*2)+(1*6)=141
141 % 10 = 1
So 77181-26-1 is a valid CAS Registry Number.
InChI:InChI=1/C36H49NO12.BrH/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;1H/t21-,22?,23?,24-,25?,26?,27-,28-,29?,30?,31?,33?,34-,35?,36-;/m1./s1

77181-26-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ACETYLACONITINE

1.2 Other means of identification

Product number -
Other names 3-acetylaconitine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:77181-26-1 SDS

77181-26-1Relevant articles and documents

NEW SYNTHETIC DERIVATIVES OF ACONITINE, DELPHONINE AND N-DEACETYLLAPPACONITINE

Ross, Samir A.,Pelletier, William S.

, p. 1307 - 1315 (2007/10/02)

This paper reports the synthesis and spectral data for 3,13-diacetylaconitine (3), 3,13,15-triacetylaconitine (4), 3,13-diacetyl-14-benzoylaconine (7), aconine pentaacetate (10), delphonine methiodide (11), 8,9-diacetyllappaconitine (12), N-deacetyl-N-met

STRUCTURE OF ACONIFINE

Sultankhodzhaev, M. N.,Beshitaishvili, L. V.,Yunusov, M. S.,Yagudaev, M. R.,Yunusov, S. Yu.

, p. 481 - 486 (2007/10/02)

The structure of the new alkaloid aconifine, which has been isolated from the tubers and epigeal part of Aconitum karakolicum Rapcs. has been established on the basis of the results of chemical transformations and spectral characteristics.Some features of the selective acetylation of aconitine and aconine have been elucidated.

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