
 dicyclomine

 57 58  0  0  0  0  0  0  0  0999 V2000
    2.4646    4.6726   -3.4892 C   0  0  0  0  0
    3.9472    4.3987   -3.2542 C   0  0  0  0  0
    4.4327    4.7403   -1.9025 N   0  0  0  0  0
    3.6798    4.0891   -0.8188 C   0  0  0  0  0
    3.7260    2.5649   -0.7803 C   0  0  0  0  0
    5.8912    4.4994   -1.8357 C   0  0  0  0  0
    6.5793    4.8840   -0.5113 C   0  0  0  0  0
    8.0144    4.7871   -0.6280 O   0  0  0  0  0
    8.5273    3.5245   -0.5847 C   0  0  0  0  0
    7.8498    2.5208   -0.4026 O   0  0  0  0  0
   10.0677    3.5180   -0.7584 C   0  0  0  0  0
   10.4845    2.1389   -1.3259 C   0  0  0  0  0
    9.9661    1.8718   -2.7454 C   0  0  0  0  0
   10.3680    2.9740   -3.7157 C   0  0  0  0  0
    9.9350    4.3420   -3.2087 C   0  0  0  0  0
   10.4772    4.6054   -1.8023 C   0  0  0  0  0
   10.7056    3.8545    0.6554 C   0  0  0  0  0
   10.2093    3.0006    1.8499 C   0  0  0  0  0
   10.9880    1.7145    2.1084 C   0  0  0  0  0
   12.4797    1.9780    2.2368 C   0  0  0  0  0
   13.0175    2.6942    1.0089 C   0  0  0  0  0
   12.2498    3.9816    0.7117 C   0  0  0  0  0
    2.2247    4.5300   -4.5483 H   0  0  0  0  0
    2.2028    5.7009   -3.2212 H   0  0  0  0  0
    1.8286    3.9880   -2.9198 H   0  0  0  0  0
    4.4999    5.0054   -3.9834 H   0  0  0  0  0
    4.1590    3.3498   -3.4969 H   0  0  0  0  0
    2.6318    4.4088   -0.8608 H   0  0  0  0  0
    4.0249    4.4768    0.1467 H   0  0  0  0  0
    3.3065    2.1225   -1.6886 H   0  0  0  0  0
    3.1329    2.2003    0.0651 H   0  0  0  0  0
    4.7461    2.1923   -0.6500 H   0  0  0  0  0
    6.3769    5.0906   -2.6243 H   0  0  0  0  0
    6.1204    3.4552   -2.0807 H   0  0  0  0  0
    6.2401    4.2732    0.3324 H   0  0  0  0  0
    6.3565    5.9286   -0.2675 H   0  0  0  0  0
   10.1304    1.3267   -0.6845 H   0  0  0  0  0
   11.5744    2.0700   -1.3671 H   0  0  0  0  0
   10.3627    0.9133   -3.0999 H   0  0  0  0  0
    8.8745    1.7723   -2.7380 H   0  0  0  0  0
   11.4567    2.9617   -3.8509 H   0  0  0  0  0
    9.9229    2.7843   -4.6987 H   0  0  0  0  0
   10.3042    5.1167   -3.8907 H   0  0  0  0  0
    8.8419    4.4121   -3.2177 H   0  0  0  0  0
   11.5674    4.6516   -1.8917 H   0  0  0  0  0
   10.1586    5.6031   -1.4767 H   0  0  0  0  0
   10.3333    4.8688    0.8723 H   0  0  0  0  0
    9.1435    2.7701    1.7741 H   0  0  0  0  0
   10.3014    3.6212    2.7531 H   0  0  0  0  0
   10.6241    1.2539    3.0346 H   0  0  0  0  0
   10.8083    0.9862    1.3134 H   0  0  0  0  0
   12.6711    2.5858    3.1297 H   0  0  0  0  0
   13.0132    1.0311    2.3774 H   0  0  0  0  0
   14.0752    2.9361    1.1687 H   0  0  0  0  0
   12.9907    2.0174    0.1512 H   0  0  0  0  0
   12.4863    4.6880    1.5203 H   0  0  0  0  0
   12.6601    4.4402   -0.1903 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 56  1  0  0  0
 22 57  1  0  0  0
M  END

>  <Chemical Name>
dicyclomine

>  <PubChem CID>
3042

>  <Formula>
C19H35NO2

>  <Molecular Weight>
309.494000

>  <IUPAC Name>
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2

>  <Isomeric SMILES>
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2

>  <InChI Std. ID>
InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3

>  <InChI Key>
CURUTKGFNZGFSE-UHFFFAOYSA-N

