
 BATANOPRIDE

 50 50  0  0  0  0  0  0  0  0999 V2000
    2.9037    3.9030   -4.3712 C   0  0  0  0  0
    2.2640    3.2746   -3.1382 C   0  0  0  0  0
    2.7862    3.7995   -1.8630 N   0  0  0  0  0
    1.8669    3.4842   -0.7550 C   0  0  0  0  0
    1.6943    2.0042   -0.4225 C   0  0  0  0  0
    4.1870    3.3820   -1.6171 C   0  0  0  0  0
    4.8175    3.8847   -0.2965 C   0  0  0  0  0
    6.1621    3.3651   -0.0889 N   0  0  0  0  0
    7.2980    4.0555   -0.4311 C   0  0  0  0  0
    7.2604    5.1757   -0.9360 O   0  0  0  0  0
    8.6300    3.3874   -0.2228 C   0  0  0  0  0
    9.7544    4.1116   -0.6596 C   0  0  0  0  0
   11.0296    3.5519   -0.6048 C   0  0  0  0  0
   11.2111    2.2256   -0.1928 C   0  0  0  0  0
   10.1013    1.5300    0.3023 C   0  0  0  0  0
    8.8202    2.1052    0.3338 C   0  0  0  0  0
    7.7422    1.4967    0.9172 O   0  0  0  0  0
    7.8892    0.2663    1.6381 C   0  0  0  0  0
    8.6189    0.4412    2.9691 C   0  0  0  0  0
    6.4676   -0.2191    1.9445 C   0  0  0  0  0
    5.4901    0.5325    1.9253 O   0  0  0  0  0
    6.3007   -1.6746    2.3031 C   0  0  0  0  0
   12.4900    1.6585   -0.0396 N   0  0  0  0  0
   12.3783    4.5084   -1.1102 Cl  0  0  0  0  0
    2.3935    3.5459   -5.2730 H   0  0  0  0  0
    3.9596    3.6364   -4.4684 H   0  0  0  0  0
    2.8164    4.9940   -4.3498 H   0  0  0  0  0
    2.3690    2.1842   -3.1920 H   0  0  0  0  0
    1.1896    3.4921   -3.2051 H   0  0  0  0  0
    0.8789    3.9043   -0.9857 H   0  0  0  0  0
    2.1775    4.0230    0.1470 H   0  0  0  0  0
    1.2363    1.4565   -1.2520 H   0  0  0  0  0
    1.0351    1.8950    0.4450 H   0  0  0  0  0
    2.6458    1.5254   -0.1737 H   0  0  0  0  0
    4.8184    3.7629   -2.4287 H   0  0  0  0  0
    4.2693    2.2882   -1.6575 H   0  0  0  0  0
    4.2435    3.5456    0.5701 H   0  0  0  0  0
    4.8405    4.9800   -0.2863 H   0  0  0  0  0
    6.2528    2.4642    0.3722 H   0  0  0  0  0
    9.6331    5.1241   -1.0418 H   0  0  0  0  0
   10.2777    0.5304    0.6836 H   0  0  0  0  0
    8.3545   -0.4884    0.9940 H   0  0  0  0  0
    8.1335    1.2058    3.5852 H   0  0  0  0  0
    9.6553    0.7627    2.8371 H   0  0  0  0  0
    8.6376   -0.4947    3.5374 H   0  0  0  0  0
    7.2058   -2.2374    2.0613 H   0  0  0  0  0
    5.4739   -2.0916    1.7224 H   0  0  0  0  0
    6.0965   -1.7674    3.3724 H   0  0  0  0  0
   12.5234    0.6493   -0.1388 H   0  0  0  0  0
   13.1952    2.1278   -0.6070 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
M  END

>  <Chemical Name>
BATANOPRIDE

>  <PubChem CID>
59692

>  <Formula>
C17H26ClN3O3

>  <Molecular Weight>
355.863000

>  <IUPAC Name>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-oxobutan-2-yloxy)benzamide

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)C(=O)C)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)C(=O)C)N)Cl

>  <InChI Std. ID>
InChI=1S/C17H26ClN3O3/c1-5-21(6-2)8-7-20-17(23)13-9-14(18)15(19)10-16(13)24-12(4)11(3)22/h9-10,12H,5-8,19H2,1-4H3,(H,20,23)

>  <InChI Key>
ZYOJXUNLLOBURP-UHFFFAOYSA-N

