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Alkaloids

Lobeline Sulfate

洛贝林硫酸盐

PHY-NP-08440 · Natural product research catalog

Catalog numberPHY-NP-08440
CAS number134-64-5
Molecular formulaC44H56N2O8S
Molecular weight773.005 g/mol
Chemical classAlkaloids
Main reported sourceIndian Tobacco
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Lobeline Sulfate

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Product information

Lobeline Sulfate 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.

Names & identifiers

IUPAC namebis(2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone);sulfuric acid
SMILESCN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.OS(=O)(=O)O
InChIKeyGRZMOSSVIPFGFF-GNJLJDPWSA-N
Subclass / scaffoldLysine alkaloids:Piperidine alkaloids
PubChem CID120636

Computed properties

Exact mass (Da)772.3757Predicted LogP4.236
Predicted TPSA (Ų)40.54H-bond donors1
H-bond acceptors3Rotatable bonds6

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.409
Synthetic accessibility score3.11
QED score0.802
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassLysine alkaloids
NPClassifier classPiperidine alkaloids
Parent SMILESCN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1
Parent formulaC22H27NO2
Parent molecular weight337.463
Specified stereocenters3
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceIndian Tobacco
Reported source familiesCampanulaceae

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

View occurrence records & references
LOTUS / Wikidata speciesIndian Tobacco[2]; Cyanea sessilifolia[1]; Hippobroma longiflora[1]; Lobelia berlandieri[1]; Lobelia sessilifolia[1]; Lobelia siphilitica[1]
All reported source familiesCampanulaceae[6]
LOTUS species records6
LOTUS reference records5
COCONUT occurrence recordsArtemisia reptans; Campanula medium; Croton hemiargyreus; Cyanea sessilifolia; Flourensia laurifolia; Hippobroma longiflora; Indian Tobacco; Isotoma longiflora; Ligularia thomsonii; Lobelia Chinensis; Lobelia berlandieri; Lobelia chinensis; Lobelia hassleri; Lobelia inflata; Lobelia nicotianaefolia; Lobelia nicotianifolia; Lobelia sessilifolia; Lobelia siphilitica; Lobelia urens; Rubus suavissimus; Streptomyces narbonensis; ampanula medium
COCONUT organism records22
COCONUT identifierCNP0250583.3

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

Documents & specifications

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

Request applicable documentation and handling information before ordering or use.