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Alkaloids

Merucathine

Merucathine

PHY-NP-09084 · Natural product research catalog

Catalog numberPHY-NP-09084
CAS number107673-74-5
Molecular formulaC11H15NO
Molecular weight177.247 g/mol
Chemical classAlkaloids
Main reported sourceCatha edulis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Merucathine

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Product information

Merucathine 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

SMILESC[C@@H]([C@@H](/C=C/C1=CC=CC=C1)O)N
InChIKeyMSCXFOZFDVCLHC-PRXIFDQHSA-N
Subclass / scaffoldPseudoalkaloids:Phenylalanine-derived alkaloids
PubChem CID5459034

Computed properties

Exact mass (Da)177.1154Predicted LogP1.4079
Predicted TPSA (Ų)46.25H-bond donors2
H-bond acceptors2Rotatable bonds3

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

View additional properties & classification
Ring count1
Aromatic rings1
Fraction Csp³0.273
Synthetic accessibility score2.98
QED score0.733
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassPseudoalkaloids
NPClassifier classPhenylalanine-derived alkaloids
Parent SMILESC[C@H](N)[C@H](O)/C=C/c1ccccc1
Parent formulaC11H15NO
Parent molecular weight177.247
Specified stereocenters2
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceCatha edulis
Reported source familiesCelastraceae

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

View occurrence records & references
LOTUS / Wikidata speciesCatha edulis[2]
All reported source familiesCelastraceae[1]
LOTUS species records1
LOTUS reference records2
COCONUT occurrence recordsCatha edulis
COCONUT organism records1
COCONUT identifierCNP0287290.2

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.