loxiglumide
  CDK     0222172006

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.0000   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.6234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -3.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -4.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -3.2120    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -4.8620    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  2  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
  9 14  1  0  0  0  0 
 10 15  1  0  0  0  0 
 12 16  2  0  0  0  0 
 12 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 13 19  2  0  0  0  0 
 14 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 17 23  2  0  0  0  0 
 20 24  1  0  0  0  0 
 21 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 22 27  2  0  0  0  0 
 23 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
M  END
> <ID>
CHEBI:31785

> <NAME>
Loxiglumide

> <STAR>
2

> <SYNONYM>
Loxiglumide

> <FORMULA>
C21H30Cl2N2O5; C21H30Cl2N2O5

> <MASS>
461.380

> <MONOISOTOPIC_MASS>
460.15318

> <CHARGE>
0

> <SMILES>
C(C(N(CCCCC)CCCOC)=O)(NC(=O)C1=CC(Cl)=C(C=C1)Cl)CCC(O)=O

> <INCHI>
InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)

> <INCHIKEY>
QNQZBKQEIFTHFZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
107097-80-3

> <KEGG_DRUG_ACCESSION>
D01113

$$$$