U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9FO3
Molecular Weight 196.1754
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-FLUOROBENZOYL)PROPANOIC ACID

SMILES

c1cc(ccc1C(=O)CCC(=O)O)F

InChI

InChIKey=WUYWHIAAQYQKPP-UHFFFAOYSA-N
InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H9FO3
Molecular Weight 196.1754
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationship of butyrate analogues on apoptosis, proliferation and histone deacetylase activity in HCT-116 human colorectal cancer cells.
2010 Sep
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 00:32:52 UTC 2021
Edited
by admin
on Sat Jun 26 00:32:52 UTC 2021
Record UNII
V2Z6N6JC9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-FLUOROBENZOYL)PROPANOIC ACID
Systematic Name English
NSC-408180
Code English
.BETA.-(4-FLUOROBENZOYL)PROPIONIC ACID
Systematic Name English
4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID
Systematic Name English
4-FLUOROBENZOYLPROPIONIC ACID
Systematic Name English
4-(4-FLUOROPHENYL)-4-OXOBUTYRIC ACID
Systematic Name English
.BETA.-(P-FLUOROBENZOYL)PROPIONIC ACID
Common Name English
4-FLUORO-.GAMMA.-OXOBENZENEBUTANOIC ACID
Systematic Name English
3-(P-FLUOROBENZOYL)PROPIONIC ACID
Common Name English
4-OXO-4-(P-FLUOROPHENYL)BUTYRIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
366-77-8
Created by admin on Sat Jun 26 00:32:52 UTC 2021 , Edited by admin on Sat Jun 26 00:32:52 UTC 2021
PRIMARY
FDA UNII
V2Z6N6JC9Z
Created by admin on Sat Jun 26 00:32:52 UTC 2021 , Edited by admin on Sat Jun 26 00:32:52 UTC 2021
PRIMARY
CAS
366-77-8
Created by admin on Sat Jun 26 00:32:52 UTC 2021 , Edited by admin on Sat Jun 26 00:32:52 UTC 2021
PRIMARY
PUBCHEM
101359
Created by admin on Sat Jun 26 00:32:52 UTC 2021 , Edited by admin on Sat Jun 26 00:32:52 UTC 2021
PRIMARY
ECHA (EC/EINECS)
206-679-1
Created by admin on Sat Jun 26 00:32:52 UTC 2021 , Edited by admin on Sat Jun 26 00:32:52 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE