
 HOMATROPINE

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.1365    2.1019   -2.1308 C   0  0  0  0  0
    1.5512    1.8000   -2.0239 N   0  0  0  0  0
    1.9413    0.8849   -0.9491 C   0  0  0  0  0
    3.4567    0.8396   -1.1861 C   0  0  0  0  0
    3.7921    2.2063   -1.7987 C   0  0  0  0  0
    2.4500    2.9441   -1.8505 C   0  0  0  0  0
    2.1672    3.7241   -0.5522 C   0  0  0  0  0
    2.1517    2.8423    0.7084 C   0  0  0  0  0
    1.5838    1.4368    0.4448 C   0  0  0  0  0
    3.5090    2.7253    1.1938 O   0  0  0  0  0
    3.6657    2.5053    2.5273 C   0  0  0  0  0
    2.7479    2.4399    3.3426 O   0  0  0  0  0
    5.1226    2.1926    2.9006 C   0  0  0  0  0
    6.1312    3.1749    2.3430 C   0  0  0  0  0
    6.6770    2.9728    1.0645 C   0  0  0  0  0
    7.6002    3.8737    0.5311 C   0  0  0  0  0
    7.9954    4.9861    1.2704 C   0  0  0  0  0
    7.4638    5.2011    2.5393 C   0  0  0  0  0
    6.5327    4.3054    3.0708 C   0  0  0  0  0
    5.2714    2.1022    4.3234 O   0  0  0  0  0
   -0.4319    1.1801   -2.2960 H   0  0  0  0  0
   -0.0452    2.7427   -3.0001 H   0  0  0  0  0
   -0.2843    2.6014   -1.2536 H   0  0  0  0  0
    1.5037   -0.1109   -1.0818 H   0  0  0  0  0
    3.7081    0.0523   -1.9080 H   0  0  0  0  0
    4.0296    0.6399   -0.2756 H   0  0  0  0  0
    4.5541    2.7449   -1.2283 H   0  0  0  0  0
    4.1874    2.0593   -2.8119 H   0  0  0  0  0
    2.4184    3.6218   -2.7106 H   0  0  0  0  0
    2.9167    4.5175   -0.4401 H   0  0  0  0  0
    1.1946    4.2229   -0.6458 H   0  0  0  0  0
    1.5509    3.3536    1.4700 H   0  0  0  0  0
    1.9438    0.7325    1.2042 H   0  0  0  0  0
    0.4921    1.4709    0.5464 H   0  0  0  0  0
    5.3376    1.1882    2.5160 H   0  0  0  0  0
    6.3847    2.1082    0.4714 H   0  0  0  0  0
    8.0140    3.7052   -0.4599 H   0  0  0  0  0
    8.7208    5.6828    0.8594 H   0  0  0  0  0
    7.7772    6.0639    3.1218 H   0  0  0  0  0
    6.1361    4.4845    4.0680 H   0  0  0  0  0
    4.3898    1.8671    4.6716 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
HOMATROPINE

>  <PubChem CID>
3623

>  <Formula>
C16H21NO3

>  <Molecular Weight>
275.348000

>  <IUPAC Name>
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O

>  <Isomeric SMILES>
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3

>  <InChI Key>
ZTVIKZXZYLEVOL-UHFFFAOYSA-N

