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Lappaconitine

CAT: 0013-GTR19171631-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171631-02Size:10 mg
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Description
(+) -Lappaconitine is a diterpenoid alkaloid isolated from Aconitum sinomontanum Nakai, characterized by its analgesic properties. It serves as a valuable research tool in neuroscience and pharmacology for studying pain mechanisms, with applications in both in vitro and in vivo experimental models.
CAS Number
32854-75-4
Product Name Alternative
(+) -Lappaconitine, Lappaconitine, P2X Receptor, P2XReceptor, Sodium Channel, SodiumChannel
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
92.57% (May vary between batches)
Solubility
DMSO:10 mg/mL (17.1 mM)
Smiles
CCN1C[C@@]2 (CC[C@H] (OC) [C@]34[C@@H]5C[C@H]6[C@H] (OC) [C@]5 (O) [C@] (O) (C[C@@H]6OC) [C@@H] (C[C@H]23) [C@@H]14) OC (=O) c1ccccc1NC (C) =O
Molecular Formula
C32H44N2O8
Molecular Weight
584.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lappaconitine

Acetyl-10-deoxysepaconitine has been reported in Delphinium cashmerianum, Aconitum laeve, and Aconitum orientale with data available.

CAS Number32854-75-4
PubChem CID90479327
IUPAC Name[(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
Molecular FormulaC32H44N2O8
Molecular Weight584.7
XLogP1.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1120
SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
InChI
InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1
InChIKey
NWBWCXBPKTTZNQ-QOQRDJBUSA-N
Chemical Structure
2D Structure
2D structure of Lappaconitine
CAS: 32854-75-4
CID: 90479327
Formula: C32H44N2O8
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass584.30976637
Monoisotopic Mass584.30976637
Topological Polar Surface Area127 Ų
Heavy Atom Count42
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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