Alkaloids

Chelerythrine, chloride

盐酸白屈菜红碱

PHY-NP-10213 · Natural product research catalog

Catalog number	PHY-NP-10213
CAS number	3895-92-9
Molecular formula	C₂₁H₁₈ClNO₄
Molecular weight	383.831 g/mol
Chemical class	Alkaloids
Main reported source	Sanguinaria canadensis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Chelerythrine, chloride 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	1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride
SMILES	C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]
InChIKey	WEEFNMFMNMASJY-UHFFFAOYSA-M
Subclass / scaffold	Tyrosine alkaloids：Isoquinoline alkaloids
PubChem CID	72311

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

View additional properties & classification

Ring count	5
Aromatic rings	4
Fraction Csp³	0.19
Synthetic accessibility score	2.69
QED score	0.409
Lipinski rule violations	0
NPClassifier pathway	Alkaloids
NPClassifier superclass	Tyrosine alkaloids
NPClassifier class	Isoquinoline alkaloids
Parent SMILES	COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC
Parent formula	C₂₁H₁₈NO₄+
Parent molecular weight	348.378
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Sanguinaria canadensis
Reported source families	Papaveraceae; Rutaceae

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

View occurrence records & references

LOTUS / Wikidata species	Sanguinaria canadensis[12]; Eschscholzia californica[10]; Chelidonium majus[9]; Zanthoxylum nitidum[6]; Macleaya cordata[4]; Zanthoxylum simulans[4]; Zanthoxylum zanthoxyloides[4]; Papaver commutatum[3]; Papaver rhoeas[3]; Zanthoxylum asiaticum[3]; Argemone mexicana[2]; Bocconia frutescens[2]; Corydalis ophiocarpa[2]; Dicentra peregrina[2]; Glaucium fimbrilligerum[2]
All reported source families	Papaveraceae[30]; Rutaceae[24]
LOTUS species records	54
LOTUS reference records	83
COCONUT occurrence records	Acronychia laurifolia; Agave deserti; Aglaia pyramidata; Angelica dahurica; Antrodia sinuosa; Arctomecon humile; Arctomecon humilis; Argemone Mexicana; Argemone alba; Argemone grandiflora; Argemone mexicana; Argemone mexicana L.; Argemone ochroleuca; Argemone spp.; Artabotrys maingayi; Asclepias subulata; Astilbe japonica; Bocconia arborea; Bocconia cordata; Bocconia frutescens; Bocconia latisepala; Bocconia spp.; Broussonetia kazinoki; Broussonetia papyrifera; Bumelia obtusifolia; Canarina canariensis; Celastrus monospermus; Cephalocroton cordofanus; Chaetomorpha moniligera; Chelidonium japonicum Thumb.
COCONUT organism records	200
COCONUT identifier	CNP0572484.0
Source reference DOI(s)	10.7717/PEERJ.6871/FIG-1；10.1201/B16160-69

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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