ChEBI
  Marvin  06160810282D          

 16 16  0  0  0  0            999 V2000
   10.6530   -5.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3703   -5.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6599   -6.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9427   -5.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0841   -5.8707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9427   -7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2289   -5.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7979   -5.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5599   -6.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5599   -6.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2289   -6.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5116   -5.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7979   -4.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151   -7.1017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.2254   -5.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9427   -5.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <ID>
CHEBI:3750

> <NAME>
clofibrate

> <DEFINITION>
The ethyl ester of clofibric acid.

> <STAR>
3

> <SYNONYM>
Liprin; Ethyl clofibrate; Ethyl chlorophenoxyisobutyrate; Ethyl 2-(p-chlorophenoxy)isobutyrate; EPIB; Clofibrate; alpha-p-Chlorophenoxyisobutyryl ethyl ester; alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester; 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester; 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester

> <IUPAC_NAME>
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

> <INN>
clofibratum; clofibrato; clofibrate

> <BRAND_NAME>
Lipofacton; ELPI; Atromid-S

> <FORMULA>
C12H15ClO3

> <MASS>
242.69900

> <MONOISOTOPIC_MASS>
242.07097

> <CHARGE>
0

> <SMILES>
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1

> <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

> <INCHIKEY>
KNHUKKLJHYUCFP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1913459

> <CAS_REGISTRY_NUMBER>
637-07-0

> <CHEMIDPLUS>
637-07-0

> <DRUGBANK_ACCESSION>
DB00636

> <KEGG_COMPOUND_ACCESSION>
C06916

> <KEGG_DRUG_ACCESSION>
D00279

> <LINCS_ACCESSION>
LSM-2996

> <NIST_CHEMISTRY_WEBBOOK>
637-07-0

> <WIKIPEDIA_ACCESSION>
Clofibrate

> <PUBMED_CENTRAL_CITATION>
PMC7258001; PMC8265473

> <PUBMED_CITATION>
23603800; 26949064; 27354598; 28248971; 28485676; 28512725; 28779283; 29059162; 30642049; 33070841; 33893992

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