
 levomedetomidine

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.8094    0.8445    0.4605 C   0  0  0  0  0
    2.2435    0.4939    0.1587 C   0  0  0  0  0
    2.7716   -0.8003    0.3928 C   0  0  0  0  0
    4.1267   -1.0696    0.0600 C   0  0  0  0  0
    4.9158   -0.0362   -0.4864 C   0  0  0  0  0
    4.3934    1.2340   -0.6986 C   0  0  0  0  0
    3.0671    1.4957   -0.3796 C   0  0  0  0  0
    4.7666   -2.4504    0.2570 C   0  0  0  0  0
    5.0692   -3.0836   -1.1079 C   0  0  0  0  0
    5.9767   -2.4161    1.1539 C   0  0  0  0  0
    7.1378   -3.1617    1.1916 C   0  0  0  0  0
    7.9469   -2.7683    2.2254 N   0  0  0  0  0
    7.2960   -1.8007    2.8256 C   0  0  0  0  0
    6.0948   -1.5582    2.2265 N   0  0  0  0  0
    1.9025   -1.8929    0.9684 C   0  0  0  0  0
    0.1324    0.1984   -0.1076 H   0  0  0  0  0
    0.5784    1.8784    0.1814 H   0  0  0  0  0
    0.6104    0.7430    1.5318 H   0  0  0  0  0
    5.9563   -0.2222   -0.7503 H   0  0  0  0  0
    5.0181    2.0168   -1.1202 H   0  0  0  0  0
    2.6724    2.4934   -0.5624 H   0  0  0  0  0
    4.0589   -3.1220    0.7546 H   0  0  0  0  0
    5.8540   -2.5428   -1.6489 H   0  0  0  0  0
    4.1743   -3.0956   -1.7405 H   0  0  0  0  0
    5.4049   -4.1204   -0.9940 H   0  0  0  0  0
    7.4370   -3.9641    0.5292 H   0  0  0  0  0
    7.6377   -1.2448    3.6884 H   0  0  0  0  0
    5.4234   -0.8543    2.4995 H   0  0  0  0  0
    0.8955   -1.5565    1.2266 H   0  0  0  0  0
    2.3440   -2.2788    1.8934 H   0  0  0  0  0
    1.7933   -2.7055    0.2424 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
levomedetomidine

>  <PubChem CID>
60612

>  <Formula>
C13H16N2

>  <Molecular Weight>
200.285000

>  <IUPAC Name>
5-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C

>  <InChI Std. ID>
InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1

>  <InChI Key>
CUHVIMMYOGQXCV-LLVKDONJSA-N

