Marvin  05190610542D          

 25 26  0  0  0  0            999 V2000
    2.4063    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5497    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2641    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5497    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2641   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9786    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8352   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8352   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9786    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6931    1.5125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1497    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2628    1.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6753    0.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806    1.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5950    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1  4  1  0  0  0  0
 15  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  5  4  2  0  0  0  0
  5 11  1  0  0  0  0
 11  6  1  0  0  0  0
  8  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 20 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:5001

> <NAME>
fenofibrate

> <DEFINITION>
A chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring.

> <STAR>
3

> <SYNONYM>
Procetofen; Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate; Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; FNF; Finofibrate; Fenofibrate; 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester

> <IUPAC_NAME>
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

> <BRAND_NAME>
Triglide; Tricor; Lipofen; Lipantil; Antara

> <FORMULA>
C20H21ClO4

> <MASS>
360.83100

> <MONOISOTOPIC_MASS>
360.11284

> <CHARGE>
0

> <SMILES>
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1

> <INCHI>
InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3

> <INCHIKEY>
YMTINGFKWWXKFG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
49562-28-9

> <REAXYS_REGISTRY_NUMBER>
2062462

> <CHEMIDPLUS>
49562-28-9

> <DRUGBANK_ACCESSION>
DB01039

> <KEGG_COMPOUND_ACCESSION>
C07586

> <KEGG_DRUG_ACCESSION>
D00565

> <LINCS_ACCESSION>
LSM-3107

> <NIST_CHEMISTRY_WEBBOOK>
49562-28-9

> <WIKIPEDIA_ACCESSION>
Fenofibrate

> <PUBMED_CITATION>
17449930; 18212815; 23603800; 32675219; 33704429; 34244236; 34515330

$$$$