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Chemical structure of GW2580-d6

GC72816

GW2580-d6

Also known as 5-[[3-(trideuteriomethoxy)-4-[[4-(trideuteriomethoxy)phenyl]methoxy]phenyl]methyl]pyrimidine-2,4-diamine

GW2580-d6 is the deuterium labeled GW2580

ChemicalCAS2733770-48-2MW372.45FormulaC20H16D6N4O3
CAS number
2733770-48-2
Molecular weight
372.45
Formula
C20H16D6N4O3
Solubility
DMSO ： 100 mg/mL (268·49 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MYQAUKPBNJWPIE-WFGJKAKNSA-N
Catalogue number
GC72816
Brand
GLPBIO
Computed properties PubChem CID 162640485 · XLogP 2.6 · TPSA 106 Ų · H-bond donors 2
XLogP
2.6
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
27

SMILES [2H]C([2H])([2H])OC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC([2H])([2H])[2H]

Computed descriptors from PubChem (CID 162640485), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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