Mesaconitine

• CAS: 2752-64-9
• Catalog Number: ACM2752649
• Category: Inhibitors
• Molecular Weight: 631.71
• Molecular Formula: C₃₃H₄₅NO₁₁
• 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 . Mesaconitine at 30 microM inhibited 3 microM phenylephrine-induced contraction in the endothelium-intact, but not endothelium-denuded, aortic rings . MA promoted the alpha-MT-induced decrease in NE levels in hippocampus, medulla oblongata plus pons and spinal cord .
• Synonyms: (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-8-acetate14-benzoat;13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8;MESACONITINE;Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)- ;MESACONITINE, 98% (PRIMARY STANDARD);Mesaaconitine;1α,6α,16β-Trimethoxy-4-methoxymethyl-20-methylaconitane-3α,8,13,14α,15α-pentol 8-acetate 14-benzoate;4-(Methoxymethyl)-20-methyl-1α,6α,16β-trimethoxyaconitane-3α,8,13,14α,15α-pentol 8-acetate 14-benzoate
• Canonical SMILES: CO[C@@H]1C2([C@@](C[C@@]3(O)[C@@H]4OC(C5=CC=CC=C5)=O)([H])[C@@]4([H])[C@](OC(C)=O)([C@@H](O)[C@@H]3OC)C6C2N(C)C7)[C@@]([C@H]6OC)([H])[C@@]7(COC)[C@H](O)C1
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsRanunculaceae Aconitum carmichaeli Debx.

Custom Q&A

What is the molecular formula of Mesaconitine?

The molecular formula of Mesaconitine is C33H45NO11.

What is the molecular weight of Mesaconitine?

The molecular weight of Mesaconitine is 631.7 g/mol.

Where is Mesaconitine found in nature?

Mesaconitine is found in Aconitum anthora, Aconitum napellus, and other organisms.

What are some synonyms for Mesaconitine?

Some synonyms for Mesaconitine include N-desethyl-N-methylaconitine and Japaconitine.

What is the IUPAC name of Mesaconitine?

The IUPAC name of Mesaconitine is [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1 2,5 .0 1,10 .0 3,8 .0 13,17 ]nonadecan-4-yl] benzoate.

What is the InChIKey of Mesaconitine?

The InChIKey of Mesaconitine is XUHJBXVYNBQQBD-TUWOXVOMSA-N.

How many hydrogen bond donor counts does Mesaconitine have?

Mesaconitine has 3 hydrogen bond donor counts.

What is the exact mass of Mesaconitine?

The exact mass of Mesaconitine is 631.29926125 g/mol.

How many rotatable bond counts does Mesaconitine have?

Mesaconitine has 10 rotatable bond counts.

What is the topological polar surface area of Mesaconitine?

The topological polar surface area of Mesaconitine is 153 2.