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Mesaconine

CAT: 1410-M29192-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Mesaconine is an ingredient from Aconitum carmichaelii Debx.. Mesaconine has a cardiac effect and anti-NF-κB activity. Mesaconine may be part of the material basis of Mahuang Fuzi Xixin decoction on anti-inflammation and immune suppression.
CAS Number
6792-09-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
485.574
Molecular Formula
C24H39NO9
Notes
Research use only, not for human use.
Receptor
IL Receptor

Chemical Information

Mesaconine

mesaconine has been reported in Aconitum carmichaelii with data available.

CAS Number6792-09-2
PubChem CID76189547
IUPAC Name6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
Molecular FormulaC24H39NO9
Molecular Weight485.6
XLogP-2.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity862
SMILES
CN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)O)COC
InChI
InChI=1S/C24H39NO9/c1-25-8-21(9-31-2)11(26)6-12(32-3)23-10-7-22(29)18(27)13(10)24(30,19(28)20(22)34-5)14(17(23)25)15(33-4)16(21)23/h10-20,26-30H,6-9H2,1-5H3
InChIKey
GQRPJUIKGLHLLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mesaconine
CAS: 6792-09-2
CID: 76189547
Formula: C24H39NO9
MW: 485.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.6
XLogP3-2.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass485.26248182
Monoisotopic Mass485.26248182
Topological Polar Surface Area141 Ų
Heavy Atom Count34
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A14698-5Mesaconine 5mg
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A14698-2Mesaconine 2mg
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A14698-1Mesaconine 1mg

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