Mrv0541 11081311512D          

 27 28  0  0  0  0            999 V2000
    6.5935   -5.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935   -4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -5.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790   -3.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7934   -3.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -4.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7124   -3.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4065   -5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823   -4.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9869   -6.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -6.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567   -2.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5713   -3.0530    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1566   -5.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3182   -6.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -7.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245   -5.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086   -6.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4436   -6.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1579   -6.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8721   -6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864   -6.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3007   -6.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8721   -5.4132    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.0931   -7.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8917   -7.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  9  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  4  8  1  0  0  0  0
 10  4  1  0  0  0  0
  6  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 10  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 18 15  1  0  0  0  0
 17 16  2  0  0  0  0
 19 17  1  0  0  0  0
 19 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  2  14  -1  25   1
M  END
> <ID>
CHEBI:6130

> <NAME>
ketorolac tromethamine

> <DEFINITION>
An organoammonium salt resulting from the mixture of equimolar amounts of ketorolac and tromethamine (tris). It has potent non-sedating analgesic and moderate anti-inflammatory effects. It is used in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis.

> <STAR>
3

> <IUPAC_NAME>
1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

> <BRAND_NAME>
Toradol; Sprix; Lixidol; Dolac; Acuvail; Acular

> <FORMULA>
C19H24N2O6

> <MASS>
376.40370

> <MONOISOTOPIC_MASS>
376.16344

> <CHARGE>
0

> <SMILES>
[NH3+]C(CO)(CO)CO.[O-]C(=O)C1CCn2c1ccc2C(=O)c1ccccc1

> <INCHI>
InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2

> <INCHIKEY>
BWHLPLXXIDYSNW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
74103-07-4

> <REAXYS_REGISTRY_NUMBER>
6463165

> <CHEMIDPLUS>
74103-07-4

> <DRUGBANK_ACCESSION>
DB00465

> <KEGG_DRUG_ACCESSION>
D00813

> <PUBMED_CITATION>
19663721; 23016110; 23098098; 23199134; 23302965; 23992042; 8863973

$$$$