Alkaloids

Lappaconitine Hydrobromide

氢溴酸高乌甲素

PHY-NP-09245 · Natural product research catalog

Catalog number	PHY-NP-09245
CAS number	97792-45-5
Molecular formula	C₃₂H₄₅BrN₂O₈
Molecular weight	665.622 g/mol
Chemical class	Alkaloids
Main reported source	Aconitum laeve
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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100 mg	Request quote	To be confirmed	Confirm in quotation

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Lappaconitine Hydrobromide is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

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;hydrobromide
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.Br
InChIKey	CFFYROOPXPKMEQ-IPZKEBFRSA-N
Subclass / scaffold	Pseudoalkaloids：Terpenoid alkaloids
PubChem CID	90479363

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	7
Aromatic rings	1
Fraction Csp³	0.75
Synthetic accessibility score	7.08
QED score	0.414
Lipinski rule violations	1
NPClassifier pathway	Alkaloids；Terpenoids
NPClassifier superclass	Pseudoalkaloids
NPClassifier class	Terpenoid alkaloids
Parent SMILES	CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC
Parent formula	C₃₂H₄₄N₂O₈
Parent molecular weight	584.71
Specified stereocenters	12
Unspecified stereocenters	0

Main reported source	Aconitum laeve
Reported source families	Ranunculaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Aconitum laeve[2]; Aconitum orientale[1]; Delphinium cashmerianum[1]
All reported source families	Ranunculaceae[3]
LOTUS species records	3
LOTUS reference records	4
COCONUT occurrence records	Aconitum barbatum var.puberulum; Aconitum carmichaelii; Aconitum ciliare; Aconitum excelsum; Aconitum finetianum; Aconitum japonicum; Aconitum kusnezoffii; Aconitum laeve; Aconitum leucostomum Worosch.; Aconitum orientale; Aconitum ranunculaefolium; Aconitum septentrionale; Aconitum sinomontanum; Aconitum triphyllum; Aspergillus ochraceus; Cordia fragrantissima; Cyperus teneriffae; Delphinium cashmerianum; Mundulea chapelieri
COCONUT organism records	19
COCONUT identifier	CNP0286703.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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