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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9FO3
Molecular Weight 196.1751
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

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 196.1751
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Identification of a new functional target of haloperidol metabolite: implications for a receptor-independent role of 3-(4-fluorobenzoyl) propionic acid.
2006 Oct
[Chemical toxicological analysis of haloperidol metabolite 4-(4-chlorophenyl)-4-hydroxypipiridine in urine by high-performance liquid chromatography].
2009 Jan-Feb
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 Fri Dec 15 18:45:21 UTC 2023
Edited
by admin
on Fri Dec 15 18:45:21 UTC 2023
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
DTXSID30190084
Created by admin on Fri Dec 15 18:45:22 UTC 2023 , Edited by admin on Fri Dec 15 18:45:22 UTC 2023
PRIMARY
NSC
408180
Created by admin on Fri Dec 15 18:45:22 UTC 2023 , Edited by admin on Fri Dec 15 18:45:22 UTC 2023
PRIMARY
FDA UNII
V2Z6N6JC9Z
Created by admin on Fri Dec 15 18:45:22 UTC 2023 , Edited by admin on Fri Dec 15 18:45:22 UTC 2023
PRIMARY
CAS
366-77-8
Created by admin on Fri Dec 15 18:45:22 UTC 2023 , Edited by admin on Fri Dec 15 18:45:22 UTC 2023
PRIMARY
PUBCHEM
101359
Created by admin on Fri Dec 15 18:45:22 UTC 2023 , Edited by admin on Fri Dec 15 18:45:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-679-1
Created by admin on Fri Dec 15 18:45:22 UTC 2023 , Edited by admin on Fri Dec 15 18:45:22 UTC 2023
PRIMARY
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