SODIUM 2-PHENYLBUTYRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H11O2.Na
Molecular Weight	186.1829
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=RHLFTMGPBSLHRS-UHFFFAOYSA-M

InChI=1S/C10H12O2.Na/c1-2-9(10(11)12)8-6-4-3-5-7-8;/h3-7,9H,2H2,1H3,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C10H11O2
Molecular Weight	163.1931
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
lipid biosynthetic process 2 Target ID: GO:0008610 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13273407	Inhibitor 8297
histone acetylation 5 Target ID: GO:0016573 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10470142	Activator 1430

PubMed

Title	Date	PubMed
Inhibition of lipid synthesis by alpha-phenyl-N-butyrate and related compounds.	1955 Oct	13273407
Failure of alpha-phenylbutyrate and beta-phenylvalerate in treatment of hypercholesterolemia.	1957 Mar	13404714
Studies on mechanism of action of alpha-phenylbutyrate.	1958 Mar	13535644

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:46:32 UTC 2023` Edited by `admin` on `Sat Dec 16 11:46:32 UTC 2023`
Record UNII	98JNT1MR93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-PHENYLBUTYRATE

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-ETHYL-, SODIUM SALT

Systematic Name

English

BUTYRIC ACID, 2-PHENYL-, SODIUM SALT

Systematic Name

English

22TH

Brand Name

English

BENZENEACETIC ACID, .ALPHA.-ETHYL-, SODIUM SALT (1:1)

Systematic Name

English

SODIUM .ALPHA.-PHENYLBUTYRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

23665409

Created by admin on Sat Dec 16 11:46:32 UTC 2023 , Edited by admin on Sat Dec 16 11:46:32 UTC 2023

PRIMARY

FDA UNII

98JNT1MR93

Created by admin on Sat Dec 16 11:46:32 UTC 2023 , Edited by admin on Sat Dec 16 11:46:32 UTC 2023

PRIMARY

CAS

2686-71-7

Created by admin on Sat Dec 16 11:46:32 UTC 2023 , Edited by admin on Sat Dec 16 11:46:32 UTC 2023

PRIMARY

Related Record Type Details


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2-PHENYLBUTYRIC ACID

PARENT -> SALT/SOLVATE