
 Cozaar

 52 55  0  0  0  0  0  0  0  0999 V2000
    8.0474    4.2012    5.2895 C   0  0  0  0  0
    7.0634    3.2365    4.6451 C   0  0  0  0  0
    6.5975    3.7464    3.2822 C   0  0  0  0  0
    5.5984    2.7875    2.6295 C   0  0  0  0  0
    5.1572    3.3145    1.3012 C   0  0  0  0  0
    4.1998    4.2114    1.1564 N   0  0  0  0  0
    4.1087    4.4588   -0.1789 C   0  0  0  0  0
    5.0544    3.7399   -0.8826 C   0  0  0  0  0
    5.7097    2.9817    0.0760 N   0  0  0  0  0
    6.8752    2.1181   -0.1293 C   0  0  0  0  0
    6.5228    0.6678   -0.3349 C   0  0  0  0  0
    5.9538    0.2235   -1.5334 C   0  0  0  0  0
    5.5344   -1.1012   -1.6854 C   0  0  0  0  0
    5.7062   -2.0399   -0.6593 C   0  0  0  0  0
    6.3693   -1.6149    0.5006 C   0  0  0  0  0
    6.7543   -0.2787    0.6697 C   0  0  0  0  0
    5.2356   -3.4317   -0.8265 C   0  0  0  0  0
    5.7380   -4.1503   -1.9412 C   0  0  0  0  0
    5.3909   -5.4792   -2.1929 C   0  0  0  0  0
    4.5393   -6.1409   -1.3235 C   0  0  0  0  0
    4.0318   -5.4679   -0.2131 C   0  0  0  0  0
    4.3519   -4.1147    0.0440 C   0  0  0  0  0
    3.6758   -3.4847    1.2607 C   0  0  0  0  0
    3.6024   -2.1607    1.5474 N   0  0  0  0  0
    2.9725   -2.0861    2.7413 N   0  0  0  0  0
    2.6315   -3.3244    3.1412 N   0  0  0  0  0
    3.0333   -4.2189    2.2123 N   0  0  0  0  0
    5.3426    3.7619   -2.3321 C   0  0  0  0  0
    4.5299    2.7857   -2.9657 O   0  0  0  0  0
    2.9741    5.5584   -0.8148 Cl  0  0  0  0  0
    8.3751    3.8176    6.2601 H   0  0  0  0  0
    7.5873    5.1814    5.4491 H   0  0  0  0  0
    8.9327    4.3363    4.6605 H   0  0  0  0  0
    6.2010    3.1047    5.3096 H   0  0  0  0  0
    7.5406    2.2561    4.5324 H   0  0  0  0  0
    7.4666    3.8844    2.6273 H   0  0  0  0  0
    6.1360    4.7360    3.4013 H   0  0  0  0  0
    4.7169    2.6853    3.2735 H   0  0  0  0  0
    6.0297    1.7885    2.5403 H   0  0  0  0  0
    7.5358    2.2419    0.7351 H   0  0  0  0  0
    7.4409    2.4956   -0.9868 H   0  0  0  0  0
    5.8020    0.9037   -2.3652 H   0  0  0  0  0
    5.0401   -1.3882   -2.6096 H   0  0  0  0  0
    6.5232   -2.3124    1.3238 H   0  0  0  0  0
    7.2020    0.0046    1.6178 H   0  0  0  0  0
    6.4271   -3.6611   -2.6274 H   0  0  0  0  0
    5.7920   -5.9914   -3.0620 H   0  0  0  0  0
    4.2589   -7.1753   -1.5024 H   0  0  0  0  0
    3.3515   -5.9998    0.4521 H   0  0  0  0  0
    6.3872    3.5478   -2.5646 H   0  0  0  0  0
    5.1075    4.7360   -2.7704 H   0  0  0  0  0
    3.7353    2.6452   -2.4162 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 44  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 23 27  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 28 51  1  0  0  0
 29 52  1  0  0  0
M  CHG  1  27  -1
M  END

>  <Chemical Name>
Cozaar

>  <PubChem CID>
25749227

>  <Formula>
C22H22ClN6O-

>  <Molecular Weight>
421.909000

>  <IUPAC Name>
[2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl

>  <Isomeric SMILES>
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl

>  <InChI Std. ID>
InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1

>  <InChI Key>
MDMTUGIZSFHDIC-UHFFFAOYSA-N

