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Chemical structure of Sodium 4-Phenylbutyrate-d11

GC48084

Sodium 4-Phenylbutyrate-d11

Also known as sodium 2,2,3,3,4,4-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate

Phenylbutyrate-d11 (sodium) is deuterium labeled Sodium 4-phenylbutyrate· Sodium 4-phenylbutyrate (4-PBA sodium) is an inhibitor of HDAC and endoplasmic reticulum (ER) stress, used in cancer and infection research

ChemicalCAS1392208-11-5MW197.3FormulaC10D11O2·Na
CAS number
1392208-11-5
Molecular weight
197.3
Formula
C10D11O2·Na
Solubility
DMSO： 25 mM,Water： 100 mM
InChIKey
VPZRWNZGLKXFOE-HSYGEVHBSA-M
Catalogue number
GC48084
Brand
GLPBIO
Computed properties PubChem CID 137700172 · TPSA 40.1 Ų · H-bond donors 0 · H-bond acceptors 2
TPSA
40.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)[O-])[2H])[2H].[Na+]

Computed descriptors from PubChem (CID 137700172), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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