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Chemical structure of Isopaynantheine

GC91404

Isopaynantheine

Also known as methyl (Z)-2-[(2S,3R,12bR)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Isopaynantheine is an analytical reference standard categorized as an opioid

ChemicalCAS22032-51-5MW396.5FormulaC23H28N2O4
CAS number
22032-51-5
Molecular weight
396.5
Formula
C23H28N2O4
Solubility
Chloroform： Soluble
InChIKey
JGZKIGWXPPFMRG-HKGYADJXSA-N
Catalogue number
GC91404
Brand
GLPBIO
Computed properties PubChem CID 171042957 · XLogP 3.2 · TPSA 63.8 Ų · H-bond donors 1
XLogP
3.2
TPSA
63.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

SMILES CO/C=C(/[C@H]1C[C@@H]2C3=C(CCN2C[C@@H]1C=C)C4=C(N3)C=CC=C4OC)\C(=O)OC

Computed descriptors from PubChem (CID 171042957), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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