.ALPHA.-ACETYLBUTYROLACTONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H8O3
Molecular Weight	128.1259
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-ACETYLBUTYROLACTONE

Structure Search

SMILES

CC(=O)C1CCOC1=O

InChI

InChIKey=OMQHDIHZSDEIFH-UHFFFAOYSA-N

InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9167448 | https://www.ncbi.nlm.nih.gov/pubmed/16256289 | https://www.ncbi.nlm.nih.gov/pubmed/11052789

a-Acetylbutyrolacone was used as an intermediate for the development of the non-nucleoside human immunodeficiency virus inhibitors and for the synthesis of antitumor agent which has thymidylate synthase (TS) and dihydrofolate reductase (DHFR) properties. Moreover, it has been characterized for use as a fluorogenic reagent for the spectrofluorimetric determination of primary amines.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Name

Type

Language

.ALPHA.-ACETYLBUTYROLACTONE

Common Name

English

DIHYDRO-3-ACETYL-2(3H)-FURANONE

Systematic Name

English

2(3H)-FURANONE, 3-ACETYLDIHYDRO-

Systematic Name

English

2-ACETYLBUTANOLIDE

Common Name

English

2-OXO-3-ACETYLTETRAHYDROFURAN

Systematic Name

English

3-ACETYLDIHYDRO-2(3H)-FURANONE

Systematic Name

English

2-ACETYL-GAMMA-BUTYROLACTONE

Systematic Name

English

.ALPHA.-ACETOBUTYROLACTONE

Common Name

English

2-ACETYL-.GAMMA.-BUTYROLACTONE

Systematic Name

English

NSC-2019

Code

English

.ALPHA.-ACETYLBUTYROLACTONE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID6044436