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Chemical structure of ARL 67156 trisodium salt

GC17225

ARL 67156 trisodium salt

Also known as trisodium;[dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]-hydroxyphosphinate

ARL67156 (FPL 67156) trisodium is a selective ecto-ATPase inhibitor

ChemicalCAS1021868-83-6MW785.06FormulaC15H21Br2N5O12P3·3Na
CAS number
1021868-83-6
Molecular weight
785.06
Formula
C15H21Br2N5O12P3·3Na
Solubility
＜15·78mg/ml in Water
InChIKey
KJYSFRKUFDOOSQ-TZRPAKANSA-K
Catalogue number
GC17225
Brand
GLPBIO
Computed properties PubChem CID 11957464 · TPSA 256 Ų · H-bond donors 3 · H-bond acceptors 16
TPSA
256 Ų
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
11
Heavy atoms
40

SMILES CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(C(P(=O)(O)[O-])(Br)Br)[O-])O)O.[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 11957464), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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