Mrv0541 10241413342D          

 20 21  0  0  0  0            999 V2000
    5.8668   -7.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6953   -8.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2975   -8.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9106   -8.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391   -9.4639    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2537   -7.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4252   -6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121   -5.6840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2099   -5.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898   -5.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4648   -5.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9799   -4.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773   -6.4660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773   -7.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5447   -5.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3294   -6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7271   -5.9389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424   -5.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7709   -4.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  5  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 14 10  1  0  0  0  0
 10 12  2  0  0  0  0
 12 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <ID>
CHEBI:35859

> <NAME>
zomepirac

> <STAR>
3

> <SYNONYM>
Zomepirac; 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid

> <IUPAC_NAME>
[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid

> <FORMULA>
C15H14ClNO3

> <MASS>
291.73000

> <MONOISOTOPIC_MASS>
291.06622

> <CHARGE>
0

> <SMILES>
Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1

> <INCHI>
InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)

> <INCHIKEY>
ZXVNMYWKKDOREA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
487946

> <CAS_REGISTRY_NUMBER>
33369-31-2

> <CHEMIDPLUS>
33369-31-2

> <DRUGBANK_ACCESSION>
DB04828

> <LINCS_ACCESSION>
LSM-6673

> <WIKIPEDIA_ACCESSION>
Zomepirac

$$$$