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Chemical structure of Devimistat-d10

GC73526

Devimistat-d10

Also known as 6,8-bis[(2,3,4,5,6-pentadeuteriophenyl)methylsulfanyl]octanoic acid

Devimistat-d10 (CPI-613-d10) is the deuterium-labeled Devimistat

ChemicalCAS2586055-61-8MW398.65FormulaC22H18D10O2S2
CAS number
2586055-61-8
Molecular weight
398.65
Formula
C22H18D10O2S2
Solubility
DMSO : 100 mg/mL (250·85 mM; Need ultrasonic)
InChIKey
ZYRLHJIMTROTBO-CRDOFXDFSA-N
Catalogue number
GC73526
Brand
GLPBIO
Computed properties PubChem CID 169316126 · XLogP 5.5 · TPSA 87.9 Ų · H-bond donors 1
XLogP
5.5
TPSA
87.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
26

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])CSCCC(CCCCC(=O)O)SCC2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Computed descriptors from PubChem (CID 169316126), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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