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Hypaconitine

Hypaconitine structure

CAS No:
6900-87-4
Formula:
C33H45NO10
Chemical Name:
Hypaconitine
Synonyms:
Aconitane-8,13,14,15-tetrol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-,8-acetate 14-benzoate,(1α,6α,14α,15α,16β)-;Hypaconitine;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-8,13,14,15-tetrol deriv.;2632-23-7
Categories:
Biochemical Engineering > Chinese Herbs

Description

Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value:Target:In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1].In vivo:

Hypaconitine Basic Attributes

Molecular Weight：

615.72

Exact Mass：

615.71

HScode：

29399990

Characteristics

PSA：

133.22000

XLogP3：

0.92

Density：

1.4±0.1 g/cm3

Melting Point：

197-198 °C (decomp)

Boiling Point：

671.3±55.0 °C at 760 mmHg

Flash Point：

359.8±31.5 °C

Refractive Index：

1.607

Toxicity：

Oral-mouse LD50: 5.8 mg/kg; peritoneal-mouse LD50: 1.10 mg/kg

Flammability characteristics：

Combustible; Fire site decomposes toxic nitrogen oxide gas

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

1544

safety instructions：

24/25

Storage features：

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

Precautionary statement(s)：

P301 + P310 + P330

Hazard Statements：

H300

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

hypaconitine

Hypaconitine Use and Manufacturing

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

Computed Properties

Molecular Weight:615.7
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:615.30434663
Monoisotopic Mass:615.30434663
Topological Polar Surface Area:133
Heavy Atom Count:44
Complexity:1160
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Bilobalide Structure

33570-04-6
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Guide of Hypaconitine

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

Hypaconitine

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