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Chemical structure of Spiroxatrine

GC13338

Spiroxatrine

Also known as 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

5-HT1A antagonist and α2C adrenergic receptor antagonist

ChemicalCAS1054-88-2MW379.46FormulaC22H25N3O3
CAS number
1054-88-2
Molecular weight
379.46
Formula
C22H25N3O3
Solubility
＜3·79mg/ml in DMSO
InChIKey
JVGBTTIJPBFLTE-UHFFFAOYSA-N
Catalogue number
GC13338
Brand
GLPBIO
Computed properties PubChem CID 5268 · XLogP 3.1 · TPSA 54 Ų · H-bond donors 1
XLogP
3.1
TPSA
54 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28

SMILES C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4

Computed descriptors from PubChem (CID 5268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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