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Benazepril HCl
Benazepril HCl ID: B187315
CAS:86541-74-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(N[C@H](C(=O)OCC)CCc2ccccc2)CCc2c1cccc2)CC(=O)O.Cl	
FORMULA: C24H29ClN2O5
MASS: 460.9505
EXACT MASS: 460.1764997
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8339     0.0000 
   C   3    0.7846     1.4389     0.0000 
   C   4    1.4982     0.8277     1.8073     0.0000 
   N   5    2.2969     1.5317     2.6312     0.8275     0.0000 
   C   6    0.8250     1.3880     1.4007     2.1895     2.9178     0.0000 
   C   7    2.4255     1.6418     3.0802     1.6461     1.4301     2.6595 
   C   8    2.6595     1.8261     3.1641     1.4250     0.8233     3.1022 
   C   9    1.4367     2.1641     1.6503     2.9212     3.6914     0.8296 
   O  10    1.3730     0.8309     2.1268     1.4373     1.8395     1.4635 
   C  11    1.4875     1.8635     0.8179     1.8715     2.6098     2.2046 
   C  12    1.8696     1.4986     1.8182     0.8366     1.2380     2.6751 
   O  13    2.0396     1.4406     2.7921     1.8478     1.9831     2.0405 
   O  14    2.1820     2.8141     2.4668     3.6156     4.3406     1.4275 
   C  15    1.8680     1.8691     1.4679     1.5039     2.0642     2.6829 
   C  16    3.4827     2.6501     3.9619     2.1793     1.4250     3.9194 
   O  17    3.1263     2.4012     3.8317     2.4766     2.1884     3.2058 
   O  18    1.8191     2.6433     1.6502     3.2894     4.1055     1.5180 
   C  19    3.9941     3.1684     4.5621     2.8500     2.1761     4.3011 
  Cl  20    3.1849     2.5238     3.3168     1.7088     1.1020     3.8982 
   C  21    4.7990     3.9688     5.3406     3.5878     2.8500     5.1236 
   C  22    1.2710     2.0858     0.8220     2.5926     3.4200     1.4181 
   C  23    2.1926     2.6705     1.4231     2.6754     3.3787     2.7951 
   C  24    3.8502     3.0751     4.5133     2.9790     2.4849     3.9985 
   C  25    5.1312     4.2997     5.5815     3.7782     2.9705     5.5610 
   C  26    5.3786     4.5646     5.9764     4.2792     3.5900     5.6092 
   C  27    2.0503     2.8289     1.4231     3.2202     4.0366     2.2263 
   C  28    4.5553     3.8169     5.2530     3.7871     3.3118     4.6074 
   C  29    2.4082     3.0640     1.6434     3.2525     4.0175     2.8036 
   C  30    6.1700     5.3483     6.7441     5.0105     4.2792     6.4258 
   C  31    5.9576     5.1264     6.3996     4.5938     3.7794     6.3846 
   C  32    6.4297     5.5965     6.9351     5.1479     4.3604     6.7768 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    3.4864     3.9245     0.0000 
   O  10    1.1988     1.7466     2.2884     0.0000 
   C  11    3.4119     3.2961     2.4447     2.6665     0.0000 
   C  12    2.4361     2.0358     3.2792     2.2366     1.5048     0.0000 
   O  13    0.8264     1.5967     2.8386     0.6671     3.3024     2.6837 
   O  14    3.9161     4.4643     0.8167     2.7391     3.2601     4.0492 
   C  15    3.1495     2.8427     3.1031     2.6941     0.8402     0.8337 
   C  16    1.4295     0.8254     4.7443     2.5282     4.0258     2.6489 
   O  17    0.8305     1.4342     4.0045     1.7820     4.2194     3.2608 
   O  18    4.1310     4.4655     0.8219     2.9546     2.2976     3.4572 
   C  19    1.6451     1.4250     5.1294     2.8435     4.7209     3.4141 
  Cl  20    2.4262     1.6446     4.6194     2.9363     3.0308     1.5359 
   C  21    2.4684     2.1777     5.9522     3.6668     5.4462     4.0699 
   C  22    3.6965     3.8909     1.2038     2.6093     1.4140     2.6371 
   C  23    4.2316     4.0954     2.8251     3.4567     0.8197     2.2007 
   C  24    1.4333     1.6616     4.8068     2.5503     4.8135     3.6802 
   C  25    2.9760     2.4762     6.3883     4.1425     5.5660     4.1048 
   C  26    2.9682     2.8542     6.4274     4.1476     6.1501     4.8243 
   C  27    4.4635     4.5870     1.8566     3.4118     1.6323     3.0865 
   C  28    2.1908     2.4885     5.3867     3.2077     5.6000     4.5035 
   C  29    4.6939     4.6735     2.5925     3.7691     1.4140     2.9087 
   C  30    3.7754     3.5919     7.2466     4.9628     6.8732     5.4968 
   C  31    3.7829     3.3031     7.2126     4.9594     6.3600     4.8827 
   C  32    4.1227     3.7794     7.6058     5.3211     6.9681     5.5230 

              O  13      O  14      C  15      C  16      O  17      O  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    3.1730     0.0000 
   C  15    3.2480     3.9149     0.0000 
   C  16    2.2559     5.2637     3.4813     0.0000 
   O  17    1.1665     4.3048     3.9798     1.6542     0.0000 
   O  18    3.5561     1.3101     3.0818     5.2908     4.7191     0.0000 
   C  19    2.3944     5.5518     4.2387     0.8233     1.4254     5.7537 
  Cl  20    3.0682     5.3244     2.2679     1.7452     3.0727     4.9181 
   C  21    3.2079     6.3720     4.9033     1.4250     2.1752     6.5703 
   C  22    3.2658     1.9683     2.2046     4.7050     4.3842     0.8837 
   C  23    4.1034     3.6046     1.3980     4.8027     5.0384     2.4364 
   C  24    1.9708     5.1234     4.4629     1.4450     0.8192     5.5036 
   C  25    3.7756     6.8808     4.9280     1.6508     2.8606     6.9413 
   C  26    3.6045     6.7675     5.6539     2.1811     2.4648     7.0971 
   C  27    4.0731     2.4965     2.4702     5.3842     5.1765     1.1964 
   C  28    2.5718     5.6102     5.2792     2.2005     1.4292     6.1251 
   C  29    4.4350     3.2868     2.1547     5.4254     5.4649     2.0049 
   C  30    4.4293     7.5945     6.3304     2.8542     3.2923     7.9064 
   C  31    4.5698     7.6953     5.6966     2.4777     3.5977     7.7682 
   C  32    4.8530     8.0224     6.3500     2.9734     3.7766     8.2148 

              C  19     Cl  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
  Cl  20    2.5619     0.0000 
   C  21    0.8233     2.9912     0.0000 
   C  22    5.2542     4.1384     6.0518     0.0000 
   C  23    5.5182     3.6645     6.2271     1.6365     0.0000 
   C  24    0.8376     3.1373     1.4327     5.1195     5.6310     0.0000 
   C  25    1.4352     2.7957     0.8333     6.3421     6.3041     2.1978 
   C  26    1.4292     3.8112     0.8269     6.6468     6.9462     1.6457 
   C  27    5.9802     4.6220     6.7627     0.8197     1.4140     5.8941 
   C  28    1.4471     3.9304     1.6626     5.8130     6.4194     0.8269 
   C  29    6.0962     4.4153     6.8399     1.4202     0.8132     6.1215 
   C  30    2.1826     4.3506     1.4292     7.4339     7.6561     2.4732 
   C  31    2.1892     3.5032     1.4372     7.1650     7.0831     2.8699 
   C  32    2.4777     4.2207     1.6544     7.6702     7.7187     2.9789 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.4372     0.0000 
   C  27    6.9983     7.3891     0.0000 
   C  28    2.4959     1.4327     6.6055     0.0000 
   C  29    6.9791     7.5237     0.8197     6.8792     0.0000 
   C  30    1.6502     0.8275     8.1628     2.1879     8.2629     0.0000 
   C  31    0.8269     1.6583     7.8136     2.9914     7.7739     1.4280 
   C  32    1.4292     1.4352     8.3576     2.8678     8.3778     0.8250 

              C  31      C  32
              ----------------------
   C  31    0.0000 
   C  32    0.8233     0.0000 



ATOMIC CHARGES
   N   1   -0.2471382226
   C   2    0.2456125452
   C   3    0.0504193145
   C   4    0.1500782302
   N   5   -0.2005657072
   C   6    0.2125549443
   C   7    0.3329320737
   C   8    0.1720901821
   C   9    0.3850670274
   O  10   -0.2730247261
   C  11   -0.0084165736
   C  12    0.0314410833
   O  13   -0.2485577755
   O  14   -0.2437234562
   C  15    0.0295569815
   C  16    0.0334609006
   O  17   -0.4475508215
   O  18   -0.2437234562
   C  19    0.0283626625
  Cl  20    0.0000000000
   C  21   -0.0221272734
   C  22    0.0145944727
   C  23   -0.0030365383
   C  24    0.2086007221
   C  25   -0.0042658463
   C  26   -0.0042658463
   C  27    0.0012591428
   C  28    0.0512708652
   C  29   -0.0002398254
   C  30   -0.0003225279
   C  31   -0.0003225279
   C  32   -0.0000200236


BOND ANGLES
   2    1    3   C2  Nam  Car    125.474
   2    1    6   C2  Nam   C3    113.584
   3    1    6  Car  Nam   C3    120.942
   1    2    4  Nam   C2   C3    128.751
   1    2   10  Nam   C2   O2    111.125
   4    2   10   C3   C2   O2    120.124
   1    3   11  Nam  Car  Car    136.313
   1    3   22  Nam  Car  Car    104.551
  11    3   22  Car  Car  Car    119.135
   2    4    5   C2   C3   N3    135.442
   2    4   12   C2   C3   C3    128.424
   5    4   12   N3   C3   C3     96.134
   4    5    8   C3   N3   C3    119.365
   1    6    9  Nam   C3  Cac    120.524
   8    7   13   C3   C2   O2    150.426
   8    7   17   C3   C2   O3    120.073
  13    7   17   O2   C2   O3     89.501
   5    8    7   N3   C3   C2    120.360
   7    8   16   C2   C3   C3    120.029
   5    8   16   N3   C3   C3    119.611
   6    9   14   C3  Cac O.co2    120.233
   6    9   18   C3  Cac O.co2    133.601
  14    9   18 O.co2  Cac O.co2    106.166
   3   11   15  Car  Car   C3    124.567
   3   11   23  Car  Car  Car    120.687
  15   11   23   C3  Car  Car    114.746
   4   12   15   C3   C3   C3    128.418
  11   15   12  Car   C3   C3    128.052
   8   16   19   C3   C3   C3    119.611
   7   17   24   C2   O3   C3    120.652
  16   19   21   C3   C3  Car    119.863
  19   21   25   C3  Car  Car    120.069
  19   21   26   C3  Car  Car    120.009
  25   21   26  Car  Car  Car    119.923
   3   22   27  Car  Car  Car    120.177
  11   23   29  Car  Car  Car    119.975
  17   24   28   O3   C3   C3    120.511
  21   25   31  Car  Car  Car    119.923
  21   26   30  Car  Car  Car    119.511
  22   27   29  Car  Car  Car    120.049
  23   29   27  Car  Car  Car    119.975
  26   30   32  Car  Car  Car    120.566
  25   31   32  Car  Car  Car    120.009
  30   32   31  Car  Car  Car    120.069


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
  10    2    1    3    179.974
  10    2    1    6      0.026
  11    3    1    2      0.026
  11    3    1    6    179.974
  22    3    1    2    179.974
  22    3    1    6      0.026
   5    4    2    1    179.974
   5    4    2   10      0.026
  12    4    2    1      0.026
  12    4    2   10    179.974
   8    5    4    2      0.026
   8    5    4   12    179.974
   9    6    1    2    179.974
   9    6    1    3      0.026
   5    8    7   13      0.026
   5    8    7   17    179.974
  16    8    7   13    179.974
  16    8    7   17      0.026
   7    8    5    4      0.026
  16    8    5    4    179.974
  14    9    6    1    179.974
  18    9    6    1      0.026
  15   11    3    1      0.026
  15   11    3   22    179.974
  23   11    3    1    179.974
  23   11    3   22      0.026
  15   12    4    2      0.026
  15   12    4    5    179.974
  12   15   11    3      0.026
  12   15   11   23    179.974
  19   16    8    7      0.026
  19   16    8    5    179.974
  24   17    7    8      0.026
  24   17    7   13    179.974
  21   19   16    8    179.974
  25   21   19   16      0.026
  26   21   19   16    179.974
  27   22    3    1    179.974
  27   22    3   11      0.026
  29   23   11    3      0.026
  29   23   11   15    179.974
  28   24   17    7    179.974
  31   25   21   19    179.974
  31   25   21   26      0.026
  30   26   21   19    179.974
  30   26   21   25      0.026
  29   27   22    3      0.026
  23   29   27   22      0.026
  32   30   26   21      0.026
  32   31   25   21      0.026
  30   32   31   25      0.026
  11   15   12    4      0.026
  27   29   23   11      0.026
  26   30   32   31      0.026


CHIRAL ATOMS
  26   30   32   31      0.026
  26   30   32   31      0.026