Mrv0541 11051311352D          

 19 19  0  0  0  0            999 V2000
    5.0265   -1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7277   -2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290   -1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7277   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715   -0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8727   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715    0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6152   -0.3723    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8727   -1.5685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3252   -2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -0.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040   -1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -2.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6623   -0.4017    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  2  10  -1  19   1
M  END
> <ID>
CHEBI:76198

> <NAME>
loxoprofen sodium

> <DEFINITION>
An organic sodium salt having loxoprofen(1−) as the counterion. The parent acid, loxoprofen, is a prodrug that is rapidly converted to its active trans-alcohol metabolite following oral administration.

> <STAR>
3

> <SYNONYM>
loxoprofen sodium salt

> <IUPAC_NAME>
sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate

> <FORMULA>
C15H17NaO3

> <MASS>
268.28340

> <MONOISOTOPIC_MASS>
268.10754

> <CHARGE>
0

> <SMILES>
[Na+].CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1

> <INCHI>
InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);/q;+1/p-1

> <INCHIKEY>
WORCCYVLMMTGFR-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
5686164

> <WIKIPEDIA_ACCESSION>
Loxoprofen

$$$$