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2-Hydroxy desipramine HCl
2-Hydroxy desipramine HCl ID: B187318
CAS:59259-75-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(c2c(cc(cc2)O)CCc2c1cccc2)CCCNC.Cl	
FORMULA: C18H23ClN2O
MASS: 318.8410
EXACT MASS: 318.1498910
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8368     0.0000 
   C   3    0.8336     1.5005     0.0000 
   C   4    1.5013     0.8276     1.8677     0.0000 
   C   5    1.3752     0.8322     2.1841     1.4387     0.0000 
   C   6    1.4964     1.8652     0.8250     1.8666     2.6708     0.0000 
   C   7    2.2362     1.4357     2.6902     0.8284     1.6628     2.6689 
   C   8    1.8788     1.5001     1.8748     0.8330     2.2371     1.5058 
   C   9    1.8750     1.8672     1.5023     1.4954     2.6929     0.8408 
   C  10    0.8189     1.4054     1.4012     2.2026     1.4964     2.1965 
   C  11    2.4872     1.6568     3.1212     1.4318     1.4405     3.2786 
   C  12    2.1524     1.4371     2.9186     1.6610     0.8280     3.2830 
   N  13    2.8580     3.5835     2.9202     4.3487     3.6020     3.6777 
  Cl  14    3.2374     3.3252     3.9385     4.0873     2.6784     4.7145 
   C  15    1.4305     2.1758     1.6049     2.9238     2.3223     2.4187 
   O  16    3.3149     2.4852     3.9428     2.1889     2.1966     4.0550 
   C  17    1.3786     2.1898     0.8326     2.6761     2.7256     1.4316 
   C  18    2.1824     2.8384     2.4278     3.6332     2.7898     3.2392 
   C  19    2.2289     2.6834     1.4321     2.6619     3.4778     0.8233 
   C  20    3.5974     4.2687     3.7292     5.0623     4.1733     4.4984 
   C  21    2.1495     2.9168     1.4333     3.2793     3.5188     1.6487 
   C  22    2.4815     3.1166     1.6538     3.2735     3.8368     1.4250 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3659     0.0000 
   C   9    2.1731     0.8311     0.0000 
   C  10    2.8297     2.6834     2.6799     0.0000 
   C  11    0.8254     2.1416     2.9071     2.8773     0.0000 
   C  12    1.4429     2.4870     3.1222     2.3201     0.8390     0.0000 
   N  13    5.0151     4.6862     4.4224     2.1875     5.0313     4.3808 
  Cl  14    4.3042     4.8252     5.0731     2.5392     3.8327     2.9937 
   C  15    3.6115     3.2733     3.0833     0.8288     3.7032     3.1421 
   O  16    1.4318     2.7952     3.6045     3.6728     0.8284     1.4429 
   C  17    3.4874     2.7001     2.2376     1.5000     3.8456     3.5250 
   C  18    4.2548     4.0553     3.9031     1.4336     4.2255     3.5588 
   C  19    3.4407     2.1757     1.3678     2.8220     4.0863     4.1058 
   C  20    5.6813     5.4554     5.2304     2.8642     5.6138     4.9027 
   C  21    4.1071     3.1221     2.4823     2.3196     4.5529     4.3007 
   C  22    4.0873     2.9096     2.1424     2.8713     4.6568     4.5516 

              N  13     Cl  14      C  15      O  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
  Cl  14    2.9500     0.0000 
   C  15    1.4275     2.7461     0.0000 
   O  16    5.7973     4.3086     4.5014     0.0000 
   C  17    2.2798     3.9157     1.2296     4.6738     0.0000 
   C  18    0.8262     2.3510     0.8230     4.9813     1.9768     0.0000 
   C  19    3.9056     5.3608     2.8426     4.8483     1.6542     3.6245 
   C  20    0.8270     2.9529     2.1824     6.3419     3.1066     1.4305 
   C  21    2.6300     4.6729     1.9321     5.3757     0.8233     2.5580 
   C  22    3.4580     5.3437     2.6506     5.4526     1.4316     3.3421 

              C  19      C  20      C  21      C  22
              --------------------------------------------
   C  19    0.0000 
   C  20    4.7309     0.0000 
   C  21    1.4316     3.4333     0.0000 
   C  22    0.8233     4.2625     0.8292     0.0000 



ATOMIC CHARGES
   N   1   -0.2873230470
   C   2    0.0477149422
   C   3    0.0475124323
   C   4   -0.0050478941
   C   5    0.0177878327
   C   6   -0.0082242621
   C   7    0.0390038465
   C   8    0.0324370236
   C   9    0.0323340952
   C  10    0.0970017370
   C  11    0.1955136950
   C  12    0.0432850666
   N  13   -0.2164730083
  Cl  14    0.0000000000
   C  15    0.0405842465
   O  16   -0.2865797578
   C  17    0.0145067149
   C  18    0.0905230362
   C  19   -0.0030278460
   C  20    0.1074527754
   C  21    0.0012580783
   C  22   -0.0002397072


BOND ANGLES
   2    1    3  Car  Npl  Car    127.869
   2    1   10  Car  Npl   C3    116.168
   3    1   10  Car  Npl   C3    115.963
   1    2    4  Npl  Car  Car    128.846
   1    2    5  Npl  Car  Car    110.977
   4    2    5  Car  Car  Car    120.178
   1    3    6  Npl  Car  Car    128.879
   1    3   17  Npl  Car  Car    111.665
   6    3   17  Car  Car  Car    119.456
   2    4    7  Car  Car  Car    120.211
   2    4    8  Car  Car   C3    129.187
   7    4    8  Car  Car   C3    110.602
   2    5   12  Car  Car  Car    119.900
   3    6    9  Car  Car   C3    128.791
   3    6   19  Car  Car  Car    120.645
   9    6   19   C3  Car  Car    110.564
   4    7   11  Car  Car  Car    119.940
   4    8    9  Car   C3   C3    127.951
   6    9    8  Car   C3   C3    128.477
   1   10   15  Npl   C3   C3    120.499
  12   11   16  Car  Car   O3    119.850
   7   11   12  Car  Car  Car    120.210
   7   11   16  Car  Car   O3    119.940
   5   12   11  Car  Car  Car    119.561
  18   13   20   C3   N3   C3    119.829
  10   15   18   C3   C3   C3    120.436
   3   17   21  Car  Car  Car    119.899
  13   18   15   N3   C3   C3    119.889
   6   19   22  Car  Car  Car    119.863
  17   21   22  Car  Car  Car    120.069
  19   22   21  Car  Car  Car    120.069


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1   10    179.974
   5    2    1    3    179.974
   5    2    1   10      0.026
   6    3    1    2      0.026
   6    3    1   10    179.974
  17    3    1    2    179.974
  17    3    1   10      0.026
   7    4    2    1    179.974
   7    4    2    5      0.026
   8    4    2    1      0.026
   8    4    2    5    179.974
  12    5    2    1    179.974
  12    5    2    4      0.026
   9    6    3    1      0.026
   9    6    3   17    179.974
  19    6    3    1    179.974
  19    6    3   17      0.026
  11    7    4    2      0.026
  11    7    4    8    179.974
   9    8    4    2      0.026
   9    8    4    7    179.974
   8    9    6    3      0.026
   8    9    6   19    179.974
  15   10    1    2    179.974
  15   10    1    3      0.026
  16   11   12    5    179.974
   7   11   12    5      0.026
  11   12    5    2      0.026
  20   13   18   15    179.974
  18   15   10    1    179.974
  21   17    3    1    179.974
  21   17    3    6      0.026
  13   18   15   10    179.974
  22   19    6    3      0.026
  22   19    6    9    179.974
  22   21   17    3      0.026
  19   22   21   17      0.026
   4    8    9    6      0.026
  21   22   19    6      0.026
   4    7   11   12      0.026
   4    7   11   16    179.974