Phenylbutyrate Sodium

CAT: 1106-LKT-P2815-G025Size: 25 gDry Ice: NoHazardous: No

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CAT#:1106-LKT-P2815-G025Size:25 g

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CAS Number

1716-12-7

Product Name Alternative

Sodium 4-phenylbutyrate, 4-Phenylbutyric acid . Na, 4PBA

Certification

RUO

Purity

≥98%

Solubility

Soluble in water, ethanol, DMSO.

Molecular Formula

C 10 H 11 O 2 . Na

Molecular Weight

186.18

Shipping Conditions

Ambient Temperature

Storage Conditions

Ambient

Appearance

White crystalline powder.

Chemical Information

Sodium Phenylbutyrate

Sodium phenylbutyrate is the organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. It has a role as a geroprotector, a prodrug, an EC 3.5.1.98 (histone deacetylase) inhibitor, a neuroprotective agent and an orphan drug. It contains a 4-phenylbutyrate.

CAS Number	1716-12-7
PubChem CID	5258
IUPAC Name	sodium 4-phenylbutanoate
Molecular Formula	C10H11NaO2
Molecular Weight	186.18
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	142

SMILES

C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1

InChIKey

VPZRWNZGLKXFOE-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1716-12-7

CID: 5258

Formula: C10H11NaO2

MW: 186.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	186.18
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	186.06567387
Monoisotopic Mass	186.06567387
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
A4107-5.1	Sodium Phenylbutyrate
S4660-01	Sodium 4-phenylbutyrate
A16714-200	Sodium phenylbutyrate 200mg
A16714-50	Sodium phenylbutyrate 50mg
HY-15654S-01	Phenylbutyrate-d11 (sodium)

Phenylbutyrate Sodium

Chemical Information

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