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Chemical structure of PBOX 6

GC33002

PBOX 6

Also known as (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-dimethylcarbamate

PBOX 6 is a pyrrolo-1,5-benzoxazepine (PBOX) compound, acts as a microtubule-depolymerizing agent and an apoptotic agent

ChemicalCAS290814-68-5MW396.44FormulaC25H20N2O3
CAS number
290814-68-5
Molecular weight
396.44
Formula
C25H20N2O3
Solubility
Soluble in DMSO
InChIKey
SOIZAFVNIXAZFQ-UHFFFAOYSA-N
Catalogue number
GC33002
Brand
GLPBIO
Computed properties PubChem CID 9865511 · XLogP 4.8 · TPSA 43.7 Ų · H-bond donors 0
XLogP
4.8
TPSA
43.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30

SMILES CN(C)C(=O)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54

Computed descriptors from PubChem (CID 9865511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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