DICL_CP_0319205 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0319205

PubChem CID

610479

Molecular Formula

C₁₄H₁₂ClNO₂

Molecular Weight

261.708 g/mol

Synonyms/Alias

[tolfenamic acid; 13710-19-5; Clotam; 2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid; N-(3-Chloro-2-methylphenyl)anthranilic acid; Tolfedine; GEA 6414; Acido tolfenamico; 2-((3-Chloro-2-methylphenyl)a...[tolfenamic acid; 13710-19-5; Clotam; 2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid; N-(3-Chloro-2-methylphenyl)anthranilic acid; Tolfedine; GEA 6414; Acido tolfenamico; 2-((3-Chloro-2-methylphenyl)amino)benzoic acid; Acide tolfenamique; Acidum tolfenamicum; 2-(3-Chloro-2-methylanilino)benzoic acid; Benzoic acid; 2-[(3-chloro-2-methylphenyl)amino]-; N-(2-Methyl-3-chlorophenyl)anthranilic acid; N-(3-Chloro-o-tolyl)-anthranilic acid; NSC-757873; Anthranilic acid; N-(3-chloro-o-tolyl)-; DTXSID1045409; CHEBI:32243; N-(3-chloro-o-tolyl)anthranilic; 3G943U18KM; MFCD00133865; NCGC00016705-05; Bifenac; N-(3-Chloro-ortho-tolyl) anthranilic acid; CAS-13710-19-5; Benzoic acid; 2-((3-chloro-2-methylphenyl)amino)-; DTXCID9025409; Tolfine; 2-([3-Chloro-2-methylphenyl]amino)benzoic acid; SR-01000000102; N-(3-Chloro-o-tolyl)anthranilic acid; Tolfenamic; tolfenamic-acid; UNII-3G943U18KM; Acide tolfenamique [INN-French]; Acido tolfenamico [INN-Spanish]; Acidum tolfenamicum [INN-Latin]; Tolfenamic acid [INN:BAN:JAN]; Tolfenamic acid; 2-[(3-Chloro-2-methylphenyl)amino]benzoic acid; N-(3-Chlor-o-tolyl)-anthranilsaure; Prestwick_579; EINECS 237-264-3; Clotam (TN); BRN 0657821; Spectrum_001263; Tolfenamic acid; NSAID; Prestwick0_000205; Prestwick1_000205; Prestwick2_000205; Prestwick3_000205; Spectrum2_001446; Spectrum3_001762; Spectrum4_000238; Spectrum5_001143; Oprea1_692996; SCHEMBL25190; Tolfenamic acid (JAN/INN); BSPBio_000189; BSPBio_003223; KBioGR_000935; KBioSS_001743; TOLFENAMIC ACID [MI]; MLS000028531; BIDD:GT0343; SPECTRUM1501198; TOLFENAMIC ACID [INN]; TOLFENAMIC ACID [JAN]; SPBio_001311; SPBio_002110; BPBio1_000209; CHEMBL121626; cid_610479; GTPL8769; TOLFENAMIC ACID [MART.]; BDBM35905; KBio2_001743; KBio2_004311; KBio2_006879; KBio3_002723; YEZNLOUZAIOMLT-UHFFFAOYSA-; TOLFENAMIC ACID [WHO-DD]; HMS1568J11; HMS1921P13; HMS2090D04; HMS2095J11; HMS2230J13; HMS3370A02; HMS3651E06; HMS3712J11; HMS3884M16; Pharmakon1600-01501198; HY-B0335; Tox21_110570; CCG-39189; NSC757873; s1959; TOLFENAMIC ACID [EP IMPURITY]; AKOS012836098; TOLFENAMIC ACID [EP MONOGRAPH]; Tox21_110570_1; 2-(3-Chloro-o-toluidino)benzoic Acid; DB09216; NSC 757873; 2(3-Chloro-2-methylanilino)benzoic acid; NCGC00016705-01; NCGC00016705-02; NCGC00016705-03; NCGC00016705-04; NCGC00016705-06; NCGC00016705-07; NCGC00016705-10; NCGC00022587-03; NCGC00022587-04; NCGC00022587-05; AS-13748; DA-11289; n-(3-chloro-ortho-tolyl)anthranilic acid; SMR000058289; SY052546; SBI-0051687.P002; 2-(3-Chloro-2-methylanilino)benzoic acid #; AB00052244; C2064; NS00002545; SW196753-3; UNM000001237003; 2-(3-chloro-2-methylphenylamino)benzoic acid; 2-((3-Chloro-2-methylphenyl)amino)benzoicacid; D01183; D78227; Q59412; AB00052244-15; AB00052244_16; AB00052244_17; EN300-7416304; Tolfenamic acid 1000 microg/mL in Acetonitrile; A807198; Benzoic acid; 2-(3-chloro-2-methylphenylamino)-; 2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid; J-006962; SR-01000000102-2; SR-01000000102-3; Tolfenamic acid; VETRANAL(TM); analytical standard; BRD-K50133271-001-05-4; BRD-K50133271-001-10-4; Tolfenamic acid; European Pharmacopoeia (EP) Reference Standard; Clotam; Tolfedine;2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid; Tolfenamic Acid; Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8;16H;1H3;(H;17;18)]

InChI Key

YEZNLOUZAIOMLT-UHFFFAOYSA-N

InChI

InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)

IUPAC Name

2-(3-chloro-2-methylanilino)benzoic acid

CAS Number

13710-19-5

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

30 31 0 0 0 0 0 0 0 0999 V2000
2.5433 0.6579 1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 0.3970 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2530 0.249...

Download SDF File (2580 bytes)

Experimental Data

Activity Data

Target Ion Channel

Calcium activated potassium channel 2 (KCa4.2)

Uniprot Accession Number

Q6UVM3

Function

Activator

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 300000 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−140 to 80 mV mV

Temperature

23–25 °C

Test Method

Patch-clamping

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/mol.112.079194

URL

N/A (Not available)

PMID

22851714

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.0902

Complexity

72.873

TPSA (Å²)

49.33

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties