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Chemical structure of ATB-337

GC12537

ATB-337

Also known as [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

ATB-337 is a hybrid molecule of an H2S donor and the NSAID diclofenac

ChemicalCAS912758-00-0MW504.5FormulaC23H15NCl2O2S3
CAS number
912758-00-0
Molecular weight
504.5
Formula
C23H15NCl2O2S3
Solubility
≤10mg/ml in DMSO;10mg/ml in dimethyl formamide
InChIKey
BRDUXOHVEZVAHI-UHFFFAOYSA-N
Catalogue number
GC12537
Brand
GLPBIO
Computed properties PubChem CID 11948307 · XLogP 6.9 · TPSA 121 Ų · H-bond donors 1
XLogP
6.9
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31

SMILES C1=CC=C(C(=C1)CC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3)NC4=C(C=CC=C4Cl)Cl

Computed descriptors from PubChem (CID 11948307), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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