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Chemical structure of Siramesine (fumarate)

GC44893

Siramesine (fumarate)

Also known as (E)-but-2-enedioic acid;1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Siramesine is an agonist of the sigma-2 (σ2) receptor (IC50 = 0·19 nM)

ChemicalCAS163630-79-3MW570.7FormulaC30H31FN2O•C4H4O4
CAS number
163630-79-3
Molecular weight
570.7
Formula
C30H31FN2O•C4H4O4
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS (pH 7·2)(1：2)： 0·33 mg/ml
InChIKey
VONJQLKJOYOVBE-WLHGVMLRSA-N
Catalogue number
GC44893
Brand
GLPBIO
Computed properties PubChem CID 9829525 · TPSA 92 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
92 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42

SMILES C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F.C(=C/C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 9829525), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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