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Chemical structure of Allomatrine

GC64758

Allomatrine

Also known as (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Allomatrine ((+)-Allomatrine) is an alkaloid from the bark of Sophora japonica

ChemicalCAS641-39-4MW248.36FormulaC15H24N2O
CAS number
641-39-4
Molecular weight
248.36
Formula
C15H24N2O
Solubility
DMSO ： 100 mg/mL (402·64 mM; Need ultrasonic)
InChIKey
ZSBXGIUJOOQZMP-KYEXWDHISA-N
Catalogue number
GC64758
Brand
GLPBIO
Computed properties PubChem CID 7000681 · XLogP 1.6 · TPSA 23.6 Ų · H-bond donors 0
XLogP
1.6
TPSA
23.6 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
18

SMILES C1C[C@@H]2[C@H]3CCCN4[C@@H]3[C@@H](CCC4)CN2C(=O)C1

Computed descriptors from PubChem (CID 7000681), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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