2-PHENYLBUTYRIC ACID

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12O2
Molecular Weight	164.2011
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PHENYLBUTYRIC ACID

Structure Search

SMILES

CCC(C(O)=O)C1=CC=CC=C1

InChI

InChIKey=OFJWFSNDPCAWDK-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Approval Year

Targets

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

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

Name

Type

Language

2-PHENYLBUTYRIC ACID

Systematic Name

English

(±)-2-PHENYLBUTYRIC ACID

Systematic Name

English

(RS)-2-PHENYLBUTANOIC ACID

Systematic Name

English

PRIMIDONE IMPURITY E [EP IMPURITY]

Common Name

English

(±)-2-PHENYLBUTANOIC ACID

Systematic Name

English

BUTYRIC ACID, 2-PHENYL-

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-ETHYL-

Systematic Name

English

2-PHENYLBUTANOIC ACID

Systematic Name

English

NSC-1860

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1946

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

Code System Code Type Description

CAS

90-27-7

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

PRIMARY

NCI_THESAURUS

C87750

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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NSC

1860

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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ECHA (EC/EINECS)

201-982-5

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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FDA UNII

S7S079H2C2

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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PUBCHEM

7012

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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CHEBI

86545

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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EPA CompTox

DTXSID90861682

Created by admin on Sat Dec 16 08:49:30 GMT 2023 , Edited by admin on Sat Dec 16 08:49:30 GMT 2023

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SALT/SOLVATE (PARENT)


					98JNT1MR93

SODIUM 2-PHENYLBUTYRATE

SUBSTANCE RECORD


					S7S079H2C2

2-PHENYLBUTYRIC ACID