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Chemical structure of Acetylseneciphylline N-oxide

GC35234

Acetylseneciphylline N-oxide

Also known as [(1R,4Z,7R,17R)-4-ethylidene-7-methyl-6-methylidene-14-oxido-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate

Acetylseneciphylline N-oxide is a pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen is replaced by an acetyl group and the tertiary amino function is oxidised to the corresponding N-oxide

ChemicalCAS123844-00-8MW391.42FormulaC20H25NO7
CAS number
123844-00-8
Molecular weight
391.42
Formula
C20H25NO7
Solubility
Soluble in DMSO
InChIKey
VUEKZTPMPCTKDK-NZQWTBGOSA-N
Catalogue number
GC35234
Brand
GLPBIO
Computed properties PubChem CID 102144112 · XLogP 0.7 · TPSA 97 Ų · H-bond donors 0
XLogP
0.7
TPSA
97 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28

SMILES C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)OC(=O)C

Computed descriptors from PubChem (CID 102144112), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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