
 rebamipide

 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.4582   -2.9910   -0.4141 C   0  0  0  0  0
   -3.3911   -3.5081    0.4802 C   0  0  0  0  0
   -2.9813   -3.9032    1.7494 C   0  0  0  0  0
   -1.6409   -3.7595    2.1218 C   0  0  0  0  0
   -0.6787   -3.2287    1.2383 C   0  0  0  0  0
   -1.1138   -2.8610   -0.0431 C   0  0  0  0  0
    0.7175   -3.0603    1.7237 C   0  0  0  0  0
    0.9909   -3.4063    2.9952 C   0  0  0  0  0
   -0.0041   -4.0179    3.9010 C   0  0  0  0  0
    0.3122   -4.3845    5.0267 O   0  0  0  0  0
   -1.2682   -4.1515    3.4120 N   0  0  0  0  0
    1.8058   -2.4476    0.8543 C   0  0  0  0  0
    2.8764   -3.4310    0.3359 C   0  0  0  0  0
    3.8070   -3.8648    1.4713 C   0  0  0  0  0
    4.4684   -3.1261    2.1838 O   0  0  0  0  0
    3.8128   -5.2002    1.6970 O   0  0  0  0  0
    2.3065   -4.5970   -0.3365 N   0  0  0  0  0
    1.9779   -4.5906   -1.6687 C   0  0  0  0  0
    2.0504   -3.5832   -2.3628 O   0  0  0  0  0
    1.4973   -5.8784   -2.2492 C   0  0  0  0  0
    1.7877   -7.1233   -1.6712 C   0  0  0  0  0
    1.2984   -8.2983   -2.2517 C   0  0  0  0  0
    0.5322   -8.2335   -3.4151 C   0  0  0  0  0
    0.2607   -7.0046   -4.0119 C   0  0  0  0  0
    0.7467   -5.8289   -3.4322 C   0  0  0  0  0
   -0.0757   -9.6802   -4.1182 Cl  0  0  0  0  0
   -2.7763   -2.6794   -1.4069 H   0  0  0  0  0
   -4.4343   -3.6010    0.1899 H   0  0  0  0  0
   -3.7131   -4.3076    2.4429 H   0  0  0  0  0
   -0.4323   -2.4564   -0.7859 H   0  0  0  0  0
    1.9678   -3.2670    3.4454 H   0  0  0  0  0
   -1.9470   -4.5508    4.0444 H   0  0  0  0  0
    2.3005   -1.6581    1.4376 H   0  0  0  0  0
    1.3796   -1.9145   -0.0001 H   0  0  0  0  0
    3.5144   -2.9121   -0.3906 H   0  0  0  0  0
    4.4248   -5.3059    2.4573 H   0  0  0  0  0
    2.1612   -5.4136    0.2435 H   0  0  0  0  0
    2.4101   -7.2081   -0.7853 H   0  0  0  0  0
    1.5232   -9.2598   -1.7956 H   0  0  0  0  0
   -0.3256   -6.9521   -4.9253 H   0  0  0  0  0
    0.5352   -4.8717   -3.9057 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
rebamipide

>  <PubChem CID>
5042

>  <Formula>
C19H15ClN2O4

>  <Molecular Weight>
370.789000

>  <IUPAC Name>
2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)

>  <InChI Key>
ALLWOAVDORUJLA-UHFFFAOYSA-N

