DICL_CP_0316565 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0316565

PubChem CID

2796

Molecular Formula

C₁₂H₁₅ClO₃

Molecular Weight

242.702 g/mol

Synonyms/Alias

[clofibrate; 637-07-0; Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate; Ethyl clofibrate; Atromid-S; Atromid; Liprin; Clofibratum; Clofibrato; EPIB; Arterioflexin; Chlorphenisate; Anparton; Antilipid; An...[clofibrate; 637-07-0; Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate; Ethyl clofibrate; Atromid-S; Atromid; Liprin; Clofibratum; Clofibrato; EPIB; Arterioflexin; Chlorphenisate; Anparton; Antilipid; Antilipide; Arterosol; Ateculon; Ateriosan; Athebrate; Atheromide; Atheropront; Atromida; Clofibate; Lipavlon; Lipofacton; Liprinal; Miscleron; Ticlobran; Amotril; Apolan; Atrolen; Lipavil; Lipomid; Xyduril; Amotril S; Angiokapsul; Atromidin; Bioscleran; Clofibram; Clofibrat; Clofipront; Hyclorate; Klofibrat; Lipidsenker; Liporeduct; Persantinat; Serotinex; Skleromexe; Athranid-wirkstoff; Atrovis; Azionyl; Cartagyl; Citiflus; Claripex; Clobrat; Clofinit; Fibralem; Gerastop; Klofiran; Levatrom; Lipamid; Liponorm; Liporil; Liposid; Lobetrin; Normalip; Regardin; Regelan; Bresit; Clofar; Deliva; Ethyl chlorophenoxyisobutyrate; Normat; Sklero; Dura clofibrat; Sklero-Tablinen; neo-Atomid; Neo-Atromid; Atromid S; Clobren-SF; Claripex CPIB; Cinnarizin; Cloberat; CPIB; ELPI; Misclerone; Normolipol; Robigram; Skerolip; Artevil; Delipid; Negalip; Normet; Recolip; Scrobin; Yoclo; Sklero-tabuls; Regelan N; Lipide 500; 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester; Oxan 600; Chlorfenisate; Propanoic acid; 2-(4-chlorophenoxy)-2-methyl-; ethyl ester; Ethyl 2-(p-chlorophenoxy)isobutyrate; Ethyl p-chlorophenoxyisobutyrate; NSC-79389; Ethyl para-chlorophenoxyisobutyrate; 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester; Ethyl 2-(4-chlorophenoxy)-2-methylpropionate; ICI 28257; AY-61123; AY 61123; alpha-p-Chlorophenoxyisobutyryl ethyl ester; Clofibratum [INN-Latin]; Ethyl 2-(p-chlorophenoxy)-2-methylpropionate; Clofibrato [INN-Spanish]; CCRIS 177; alpha-(p-Chlorophenoxy)isobutyric acid; ethyl ester; ICI-28257; Ethyl 2-(4-chlorophenoxy)isobutyrate; Ethyl-alpha-p-chlorophenoxy-isobutyrate; Ethyl alpha-(4-chlorophenoxy)isobutyrate; Ethyl alpha-(p-chlorophenoxy)isobutyrate; HSDB 3038; UNII-HPN91K7FU3; EINECS 211-277-4; HPN91K7FU3; NSC 79389; BRN 1913459; Propionic acid; 2-(p-chlorophenoxy)-2-methyl-; ethyl ester; CHEBI:3750; DTXSID3020336; Clofibrate (Standard); Acetic acid; (p-chlorophenoxy)dimethyl-; ethyl ester; 19 more names available; NSC79389; Propanoic acid; 2-(p-chlorophenoxy)-2-methyl-; ethyl ester; MFCD00000615; Propionic acid; 2-(4-chlorophenoxy)-2-methyl-; ethyl ester; CHEMBL565; Ethyl alpha-(4-chlorophenoxy)-alpha-methylpropionate; Ethyl alpha-(p-Chlorophenoxy)-alpha-methylpropionate; DTXCID70336; Isobutyric acid; alpha-(p-chlorophenoxy)-; ethyl ester; Ethyl 2-(para-chlorophenoxy)-2-methylpropionate (IUPAC); .alpha.-p-Chlorophenoxyisobutyryl ethyl ester; 2-(4-Chlorophenoxy)isobutyric Acid Ethyl Ester; .alpha.-(p-Chlorophenoxy)isobutyric acid; ethyl ester; Clofibrate [USAN:USP:INN:BAN:JAN]; NCGC00015257-08; Sklerepmexe; Serofinex; Sklerolip; Skleromex; Clofibrato [Spanish]; Ethyl .alpha.-(4-chlorophenoxy)isobutyrate; Ethyl .alpha.-(p-chlorophenoxy)isobutyrate; CLOFIBRATE (IARC); CLOFIBRATE [IARC]; Clofibratum (INN-Latin); Sklero-tablinene; Clofibrato (INN-Spanish); CLOFIBRATE (MART.); CLOFIBRATE [MART.]; Clobren-5F; Vincamin compositum; ethyl 2-[(4-chlorophenyl)oxy]-2-methylpropanoate; Clofibric Acid; Ethyl Ester; Ethyl .alpha.-(p-chlorophenoxy)-.alpha.-methylpropionate; CLOFIBRATE (EP MONOGRAPH); CLOFIBRATE (USP IMPURITY); CLOFIBRATE [EP MONOGRAPH]; CLOFIBRATE [USP IMPURITY]; Ethyl .alpha.-(4-chlorophenoxy)-.alpha.-methylpropionate; Abitrate; Clofibrate (USAN:USP:INN:BAN:JAN); CAS-637-07-0; SMR000058279; clofibrate (CLOF); Chlorophenoxyisobutyrate; Ethyl; SR-01000075544; ATROMID-S (TN); BML2-F02; Clofibrate liquid; Clobren SF; Clofibrate; liquid; Spectrum_001735; p-Chlorophenoxyisobutyric acid ethyl ester; CLOFIBRATE [MI]; CLOFIBRATE [INN]; CLOFIBRATE [JAN]; Spectrum2_001209; Spectrum4_000223; Spectrum5_001133; CLOFIBRATE [HSDB]; CLOFIBRATE [USAN]; Lopac-C-6643; Ethyl2-(4-chlorophenoxy)-2-methylpropanoate; CLOFIBRATE [VANDF]; UPCMLD-DP019; C 6643; ethyl 2-(4-chlorophenoxy)-2-methyl-propanoate; SCHEMBL2356; CLOFIBRATE [WHO-DD]; NCIOpen2_004739; BIDD:PXR0178; CBiol_001860; Lopac0_000306; BSPBio_001577; KBioGR_000297; KBioGR_000885; KBioSS_000297; KBioSS_002215; MLS001336011; MLS001336012; MLS002153494; BIDD:GT0172; DivK1c_000822; DivK1c_000926; SPBio_000998; Clofibrate (JP17/USP/INN); Ethyl p-Chlorophenoxyisobyturate; GTPL2667; 2-(4-Chlorophenoxy)-2-methylpropionic acid ethyl ester; CLOFIBRATE [ORANGE BOOK]; UPCMLD-DP019:001; BCBcMAP01_000104; HMS502J04; HMS502O08; HY-B0287R; KBio1_000822; KBio1_000926; KBio2_000297; KBio2_002215; KBio2_002865; KBio2_004783; KBio2_005433; KBio2_007351; KBio3_000593; KBio3_000594; WLN: GR DOX1&1&VO2; C10AB01; Clofibrate; >=98.0% (GC); NINDS_000822; NINDS_000926; Bio1_000146; Bio1_000635; Bio1_001124; Bio2_000297; Bio2_000777; HMS1361O19; HMS1791O19; HMS1989O19; HMS2089P03; HMS2093G07; HMS2233C17; HMS3260N14; HMS3373C06; HMS3402O19; HMS3715J03; Pharmakon1600-01503429; HY-B0287; Tox21_110116; Tox21_202414; Tox21_300277; Tox21_500306; BDBM50085047; CCG-40281; NSC758474; AKOS015889383; Tox21_110116_1; DB00636; LP00306; NSC-758474; SDCCGSBI-0050294.P004; IDI1_000822; IDI1_000926; IDI1_034047; Clofibrate; analytical reference material; NCGC00015257-01; NCGC00015257-02; NCGC00015257-03; NCGC00015257-04; NCGC00015257-05; NCGC00015257-06; NCGC00015257-07; NCGC00015257-09; NCGC00015257-10; NCGC00015257-11; NCGC00015257-12; NCGC00015257-14; NCGC00015257-22; NCGC00093755-01; NCGC00093755-03; NCGC00093755-04; NCGC00093755-05; NCGC00093755-06; NCGC00093755-07; NCGC00093755-08; NCGC00254073-01; NCGC00259963-01; NCGC00260991-01; AC-33179; AS-14127; Clofibrate 100 microg/mL in Acetonitrile; NCI60_041748; SY050795; Ethyl .alpha.-p-(chlorophenoxy)isobutyrate; SBI-0050294.P003; DB-054528; CS-0695012; EU-0100306; NS00015389; S1820; 2-(p-Chlorophenoxy)isobutyric acid ethyl ester; C06916; D00279; EN300-119182; F20382; M01536; AB00052358-07; AB00052358-08; AB00052358_09; AB00052358_10; Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate #; A834483; ethyl 2-(4-chloranylphenoxy)-2-methyl-propanoate; Acetic acid; (p-chlorophenoxy)dimethyl-; ethyl este; Ethyl 2-(4-chlorophenoxy)-2-methylpropionate; 99%; Q2701912; SR-01000075544-1; SR-01000075544-4; SR-01000075544-5; SR-01000075544-8; Z53835984; 2-(4-Chloro-phenoxy)-2-methyl-propionic acid ethyl ester; Clofibrate; European Pharmacopoeia (EP) Reference Standard; Isobutyric acid; .alpha.-(p-chlorophenoxy)-; ethyl ester; Clofibrate; United States Pharmacopeia (USP) Reference Standard]

InChI Key

KNHUKKLJHYUCFP-UHFFFAOYSA-N

InChI

InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3

IUPAC Name

ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

CAS Number

637-07-0

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

16 16 0 0 0 0 0 0 0 0999 V2000
-4.2608 3.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0929 1.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7181 0...

Download SDF File (1443 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated potassium channel subfamily KQT member 1

Uniprot Accession Number

P51787

Function

Blocker

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

K_i: 1000 nM

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−70 to 70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

HEK293T cell (Homo sapiens embryonic kidney 293T cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1152/ajpgi.00234.2007

URL

N/A (Not available)

PMID

17916649

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.0605

Complexity

62.792

TPSA (Å²)

35.53

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