
 SCH 221510

 61 65  0  0  0  0  0  0  0  0999 V2000
    1.3000   -8.7293   -0.9636 C   0  0  0  0  0
    1.7356   -7.6184   -1.8795 C   0  0  0  0  0
    2.0730   -7.9950   -3.1975 C   0  0  0  0  0
    2.4950   -7.0602   -4.1403 C   0  0  0  0  0
    2.5875   -5.7241   -3.7850 C   0  0  0  0  0
    2.2788   -5.3350   -2.4826 C   0  0  0  0  0
    1.8701   -6.2633   -1.4938 C   0  0  0  0  0
    1.6173   -5.7412   -0.0574 C   0  0  0  0  0
    2.9721   -5.3272    0.5844 C   0  0  0  0  0
    3.4681   -4.0187    0.3630 C   0  0  0  0  0
    4.7141   -3.6062    0.8328 C   0  0  0  0  0
    5.5108   -4.4970    1.5351 C   0  0  0  0  0
    5.0478   -5.7874    1.7806 C   0  0  0  0  0
    3.7806   -6.2153    1.3322 C   0  0  0  0  0
    3.4035   -7.6393    1.6271 C   0  0  0  0  0
    0.6393   -4.6284   -0.0382 N   0  0  0  0  0
    0.2419   -4.0880    1.2675 C   0  0  0  0  0
   -0.6116   -2.9056    0.7924 C   0  0  0  0  0
   -1.2037   -3.3776   -0.5409 C   0  0  0  0  0
   -0.6433   -4.7943   -0.7264 C   0  0  0  0  0
   -1.5408   -5.8720   -0.0853 C   0  0  0  0  0
   -1.8250   -5.6595    1.4233 C   0  0  0  0  0
   -0.5609   -5.0936    2.1193 C   0  0  0  0  0
   -2.4019   -6.9051    2.1186 C   0  0  0  0  0
   -2.2772   -7.0855    3.5091 C   0  0  0  0  0
   -2.8744   -8.1693    4.1600 C   0  0  0  0  0
   -3.6266   -9.0896    3.4386 C   0  0  0  0  0
   -3.7837   -8.9245    2.0669 C   0  0  0  0  0
   -3.1835   -7.8421    1.4156 C   0  0  0  0  0
   -2.8628   -4.6667    1.5339 O   0  0  0  0  0
    2.1733   -9.2437   -0.5551 H   0  0  0  0  0
    0.7035   -9.4639   -1.5167 H   0  0  0  0  0
    0.6668   -8.3883   -0.1444 H   0  0  0  0  0
    2.0080   -9.0394   -3.4982 H   0  0  0  0  0
    2.7488   -7.3759   -5.1482 H   0  0  0  0  0
    2.9073   -4.9826   -4.5113 H   0  0  0  0  0
    2.3577   -4.2788   -2.2339 H   0  0  0  0  0
    1.1947   -6.5429    0.5443 H   0  0  0  0  0
    2.8717   -3.2997   -0.1965 H   0  0  0  0  0
    5.0617   -2.5965    0.6349 H   0  0  0  0  0
    6.4920   -4.1915    1.8878 H   0  0  0  0  0
    5.6940   -6.4739    2.3249 H   0  0  0  0  0
    3.7064   -8.2812    0.7962 H   0  0  0  0  0
    2.3347   -7.7522    1.8207 H   0  0  0  0  0
    3.9108   -7.9965    2.5309 H   0  0  0  0  0
    1.0871   -3.7125    1.8531 H   0  0  0  0  0
    0.0215   -2.0272    0.6125 H   0  0  0  0  0
   -1.3791   -2.6077    1.5129 H   0  0  0  0  0
   -2.2969   -3.3389   -0.5538 H   0  0  0  0  0
   -0.8473   -2.7192   -1.3437 H   0  0  0  0  0
   -0.5329   -4.9992   -1.7961 H   0  0  0  0  0
   -2.4874   -5.8832   -0.6420 H   0  0  0  0  0
   -1.0690   -6.8486   -0.2410 H   0  0  0  0  0
   -0.8480   -4.5794    3.0463 H   0  0  0  0  0
    0.1081   -5.9148    2.4064 H   0  0  0  0  0
   -1.7289   -6.3711    4.1187 H   0  0  0  0  0
   -2.7623   -8.2832    5.2355 H   0  0  0  0  0
   -4.0997   -9.9256    3.9465 H   0  0  0  0  0
   -4.3862   -9.6315    1.5017 H   0  0  0  0  0
   -3.3598   -7.7375    0.3476 H   0  0  0  0  0
   -3.6981   -5.1159    1.7513 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  8 16  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
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 13 14  2  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 15 43  1  0  0  0
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 16 20  1  0  0  0
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 17 46  1  0  0  0
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 20 21  1  0  0  0
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 22 30  1  0  0  0
 22 24  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
 30 61  1  0  0  0
M  END

>  <Chemical Name>
SCH 221510

>  <PubChem CID>
9887077

>  <Formula>
C28H31NO

>  <Molecular Weight>
397.562000

>  <IUPAC Name>
8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C4CCC3CC(C4)(C5=CC=CC=C5)O

>  <Isomeric SMILES>
CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C4CCC3CC(C4)(C5=CC=CC=C5)O

>  <InChI Std. ID>
InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3

>  <InChI Key>
LOSJNRBXNQTUNT-UHFFFAOYSA-N

