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Chemical structure of Alpertine

GC31195

Alpertine

Also listed as Alpertine (Win 31665)

Alpertine (Win 31665) is an antipsychotic agent extracted from patent US 5955459 A

ChemicalCAS27076-46-6MW437.53FormulaC25H31N3O4
CAS number
27076-46-6
Molecular weight
437.53
Formula
C25H31N3O4
Solubility
Soluble in DMSO
InChIKey
RXAVJRAUFOPBOO-UHFFFAOYSA-N
Catalogue number
GC31195
Brand
GLPBIO
Computed properties PubChem CID 166547 · XLogP 4.4 · TPSA 67 Ų · H-bond donors 1
XLogP
4.4
TPSA
67 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

SMILES CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 166547), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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