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Diterpenoids

Pinaverium Bromide

匹维溴铵

PHY-NP-02356 · Natural product research catalog

Catalog numberPHY-NP-02356
CAS number53251-94-8
Molecular formulaC26H41Br2NO4
Molecular weight591.425 g/mol
Chemical classDiterpenoids
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pinaverium Bromide

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10 mgRequest quoteTo be confirmedConfirm in quotation
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50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

Pinaverium Bromide is listed in the Diterpenoids 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 name4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide
SMILESCC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]
InChIKeyIKGXLCMLVINENI-UHFFFAOYSA-M
PubChem CID40703

Computed properties

Exact mass (Da)589.1402Predicted LogP5.2923
Predicted TPSA (Ų)36.92H-bond donors0
H-bond acceptors4Rotatable bonds10

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

View additional properties & classification
Ring count5
Aromatic rings1
Fraction Csp³0.769
Synthetic accessibility score4.79
QED score0.316
Lipinski rule violations2
NPClassifier pathwayTerpenoids
NPClassifier superclassDiterpenoids
Parent SMILESCOc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC
Parent formulaC26H41BrNO4+
Parent molecular weight511.521
Specified stereocenters0
Unspecified stereocenters3

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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.