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Chemical structure of 17-Hydroxyneomatrine
Alkaloids

17-Hydroxyneomatrine

17-羟基新苦参碱

PHY-NP-08484 · Natural product research catalog

Catalog numberPHY-NP-08484
CAS number2306139-04-6
Molecular formulaC15H24N2O2
Molecular weight264.369 g/mol
Chemical classAlkaloids
Purity / assayConfirmed in quotation and batch COA

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Product information

17-Hydroxyneomatrine 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 name(1S,2R,8R,9R,17R)-8-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESC1C[C@@H]2[C@@H]3CCCN4[C@H]3[C@@H](CCC4)[C@H](N2C(=O)C1)O
InChIKeySNXBXDZKGDYHID-PGKPSXLWSA-N
Subclass / scaffoldLysine alkaloids:Quinolizidine alkaloids
PubChem CID165430706

Computed properties & structure classification

Exact mass (Da)264.1838Predicted LogP1.1901
Predicted TPSA (Ų)43.78H-bond donors1
H-bond acceptors3Rotatable bonds0
Ring count4Aromatic rings0
Fraction Csp³0.933Synthetic accessibility score4.17
QED score0.715Lipinski rule violations0
NPClassifier pathwayAlkaloidsNPClassifier superclassLysine alkaloids
NPClassifier classQuinolizidine alkaloidsParent SMILESO=C1CCC[C@@H]2[C@@H]3CCCN4CCC[C@H]([C@@H]34)[C@@H](O)N12
Parent formulaC15H24N2O2Parent molecular weight264.369
Specified stereocenters5Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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