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Chemical structure of Pseudocoptisine acetate

GC39141

Pseudocoptisine acetate

Also known as 5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene acetate

Pseudocoptisine (Isocoptisine) acetate is a quaternary alkaloid with benzylisoquinoline skeleton, was isolated from Corydalis Tuber

ChemicalCAS30426-66-5MW379.36FormulaC21H17NO6
CAS number
30426-66-5
Molecular weight
379.36
Formula
C21H17NO6
Solubility
Soluble in DMSO
InChIKey
FRCAGGREKGATCY-UHFFFAOYSA-M
Catalogue number
GC39141
Brand
GLPBIO
Computed properties PubChem CID 146014678 · TPSA 80.9 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
80.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
28

SMILES CC(=O)[O-].C1C[N+]2=CC3=CC4=C(C=C3C=C2C5=CC6=C(C=C51)OCO6)OCO4

Computed descriptors from PubChem (CID 146014678), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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