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Crassicauline A

Crassicauline A structure

CAS No:
79592-91-9
Formula:
C35H49NO10
Chemical Name:
Crassicauline A
Synonyms:
Aconitane-8,13,14-triol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-(4-methoxybenzoate),(1α,6α,14α,16β)-;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-8,13,14-triol deriv.;Crassicauline A;Crassicauline I;3-Deoxyyunaconitine;Crassicaulin A
Categories:
Active Pharmaceutical Ingredients > Antipyretic Analgesics

Description

Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2].

Crassicauline A Basic Attributes

Molecular Weight：

643.76426

Exact Mass：

643.76

Characteristics

PSA：

122.22000

XLogP3：

1.67

Density：

1.3±0.1 g/cm3

Melting Point：

162.5-164.5 °C

Boiling Point：

688.2±55.0 °C at 760 mmHg

Flash Point：

370.0±31.5 °C

Refractive Index：

1.589

Drug Information

MeSH Entry Terms：

crassicauline A

Crassicauline A Use and Manufacturing

3-Deoxyyunaconitine is a metabolite of Aconitine (A189875), a neurotoxin that binds, activates tetrodotoxin-sensitive Na+ channels and prolongs the opening of the sodium-ion channel by suppressing conformational changes.

Computed Properties

Molecular Weight:643.8
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:643.33564676
Monoisotopic Mass:643.33564676
Topological Polar Surface Area:122
Heavy Atom Count:46
Complexity:1190
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Crassicauline A

CAS No.: 79592-91-9

Content: 99.00%

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