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Mesaconitine

Mesaconitine structure

CAS No:
2752-64-9
Formula:
C33H45NO11
Chemical Name:
Mesaconitine
Synonyms:
Aconitane-3,8,13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-,8-acetate 14-benzoate,(1α,3α,6α,14α,15α,16β)-;Mesaconitine;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14,15-pentol deriv.;NSC 77210;6822-39-5
Categories:
Biochemical Engineering > Chinese Herbs

Description

Mesaconitine is the main active component of genus aconitum plants.IC50 value:Target: in vitro: In HUVECs, 30 microM mesaconitine increased the [Ca(2+)](i) level in the presence of extracellular CaCl(2) and NaCl, and the response was inhibited by KBR7943. Mesaconitine increased intracellular Na(+) concentration level in HUVECs. The [Ca(2+)](i) response by mesaconitine was inhibited by 100 microM D-tubocurarine [1]. Mesaconitine at 30 microM inhibited 3 microM phenylephrine-induced contra

Mesaconitine Basic Attributes

Molecular Weight：

631.71

Exact Mass：

631.71

EC Number：

220-397-6

NSC Number：

77210

HScode：

29399990

Characteristics

PSA：

153

XLogP3：

0.19590

Density：

1.4±0.1 g/cm3

Melting Point：

208-209 °C

Boiling Point：

708.7ºC at 760mmHg

Flash Point：

374.1±31.5 °C

Refractive Index：

1.618

Vapor Pressure：

4.45E-21mmHg at 25°C

Toxicity：

Oral-Mouse LD50: 1.9 mg/kg; Abdominal cavity-mouse LD50: 0.231 mg/kg

Flammability characteristics：

Combustible; Fire site decomposes toxic nitrogen oxide gas

Safety Information

Packing level：

Ⅰ

Hazard category：

6.1(a)

Transport codes：

1544

hazard class code：

6.1

safety instructions：

24/25

Storage features：

Treasury is low temperature, ventilated, dry; stored separately from food raw materials

Precautionary statement(s)：

P260-P264-P284-P301 + P310-P310

Hazard Statements：

H300 + H330

GHS Classification：

|Danger|H300+H330 (97.44%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]|P260, P264, P270, P271, P284, P301+P310, P304+P340, P310, P320, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

mesaconitine

Mesaconitine Use and Manufacturing

An Aconitine (A189875) analog. Aconitine alkaloid pharmacokinetic analgesic. A highly poisonous, neurotoxic alkaloid.

Computed Properties

Molecular Weight:631.7
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:631.29926125
Monoisotopic Mass:631.29926125
Topological Polar Surface Area:153
Heavy Atom Count:45
Complexity:1200
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Mesaconitine

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Mesaconitine

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