ChemFOnt: Showing chemical card for Tiaprofenic acid (CFc000009800)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:03 UTC

Chemfont ID

CFc000009800

Molecule Identification

Common Name

Tiaprofenic acid

Definition

Tiaprofenic acid is only found in individuals that have used or taken this drug. It is a non-steroidal anti-inflammatory drug of the arylpropionic acid (profen) class, used to treat pain, especially arthritic pain.Tiaprofenic acid belongs to a group of medicines called non-steroidal anti-inflammatory drugs (NSAIDs). It works by blocking the production of a chemical (prostaglandin) which the body produces in response to injury or certain diseases. This prostaglandin would otherwise go on to cause swelling, pain and inflammation.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(5-Benzoyl-thiophen-2-yl)-propionic acid	ChEBI
2-(5-Benzyl-2-thienyl)propionsaeure	ChEBI
5-Benzoyl-alpha-methyl-2-thiopheneacetic acid	ChEBI
5-Benzoyl-alpha-methylthiophene-2-acetic acid	ChEBI
Acide tiaprofenique	ChEBI
Acido tiaprofenico	ChEBI
Acidum tiaprofenicum	ChEBI
alpha-Methyl-5-benzoyl-2-thienylacetic acid	ChEBI
Tiaprofensaeure	ChEBI
Surgam	Kegg
2-(5-Benzoyl-thiophen-2-yl)-propionate	Generator
5-Benzoyl-a-methyl-2-thiopheneacetate	Generator
5-Benzoyl-a-methyl-2-thiopheneacetic acid	Generator
5-Benzoyl-alpha-methyl-2-thiopheneacetate	Generator
5-Benzoyl-α-methyl-2-thiopheneacetate	Generator
5-Benzoyl-α-methyl-2-thiopheneacetic acid	Generator
5-Benzoyl-a-methylthiophene-2-acetate	Generator
5-Benzoyl-a-methylthiophene-2-acetic acid	Generator
5-Benzoyl-alpha-methylthiophene-2-acetate	Generator
5-Benzoyl-α-methylthiophene-2-acetate	Generator
5-Benzoyl-α-methylthiophene-2-acetic acid	Generator
a-Methyl-5-benzoyl-2-thienylacetate	Generator
a-Methyl-5-benzoyl-2-thienylacetic acid	Generator
alpha-Methyl-5-benzoyl-2-thienylacetate	Generator
Α-methyl-5-benzoyl-2-thienylacetate	Generator
Α-methyl-5-benzoyl-2-thienylacetic acid	Generator
Tiaprofenate	Generator
Flanid	HMDB
Novo-tiaprofenic	HMDB
Novopharm brand OF tiaprofenic acid	HMDB
Nu-pharm brand OF tiaprofenic acid	HMDB
Apotex brand OF tiaprofenic acid	HMDB
Florizel brand OF tiaprofenic acid	HMDB
Nu-tiaprofenic	HMDB
PMS-Tiaprofenic	HMDB
Pierre fabre brand OF tiaprofenic acid	HMDB
Surgam sa	HMDB
Hoechst brand OF tiaprofenic acid	HMDB
Tiaprofenic acid, calcium salt	HMDB
Apo-tiaprofenic	HMDB
Aventis brand OF tiaprofenic acid	HMDB
Grünenthal brand OF tiaprofenic acid	HMDB
Pharmascience brand OF tiaprofenic acid	HMDB

Chemical Formula

C₁₄H₁₂O₃S

Average Molecular Weight

260.308

Monoisotopic Molecular Weight

260.05071494

IUPAC Name

2-(5-benzoylthiophen-2-yl)propanoic acid

Traditional Name

tiaprofenic acid

CAS Registry Number

33005-95-7

SMILES

CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)

InChI Key

GUHPRPJDBZHYCJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Aryl-phenylketones

Alternative Parents

Substituents

Aryl-phenylketone
Thiophene carboxylic acid or derivatives
Benzoyl
2,5-disubstituted thiophene
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Thiophene
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:32221 )
thiophenes (CHEBI:32221 )
aromatic ketone (CHEBI:32221 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)

Cellular substructure

Cytoplasm (HMDB: HMDB0015538)
Membrane (HMDB: HMDB0015538)

Source

Exogenous

Exogenous (HMDB: HMDB0015538)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Tiaprofenic Acid Action Pathway (PathBank: SMP0000705)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.032 g/L	ALOGPS
logP	3.22	ALOGPS
logP	3.66	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	4.03	ChemAxon
pKa (Strongest Basic)	-7.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	54.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	69.19 m³·mol⁻¹	ChemAxon
Polarizability	26.78 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0015538

DrugBank ID

DB01600

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

5269

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tiaprofenic_acid

METLIN ID

Not Available

PubChem Compound

5468

PDB ID

Not Available

ChEBI ID

32221

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Tiaprofenic acid (CFc000009800)

MOL for CFc000009800 (Tiaprofenic acid)

3D MOL for CFc000009800 (Tiaprofenic acid)

3D SDF for CFc000009800 (Tiaprofenic acid)

3D-SDF for CFc000009800 (Tiaprofenic acid)

PDB for CFc000009800 (Tiaprofenic acid)

3D PDB for CFc000009800 (Tiaprofenic acid)

SMILES for CFc000009800 (Tiaprofenic acid)

INCHI for CFc000009800 (Tiaprofenic acid)

Structure for CFc000009800 (Tiaprofenic acid)

3D Structure for CFc000009800 (Tiaprofenic acid)