
 Lopac-E-2375

 75 79  0  0  0  0  0  0  0  0999 V2000
    2.0122   -0.9261    1.0301 C   0  0  0  0  0
    3.4769   -0.6556    1.3398 C   0  0  0  0  0
    4.0450    0.6205    0.6785 C   0  0  0  0  0
    5.5613    0.7000    0.9718 C   0  0  0  0  0
    6.2293    1.8723    0.3745 N   0  0  0  0  0
    7.5545    2.0468    0.9884 C   0  0  0  0  0
    8.3406    3.1761    0.3227 C   0  0  0  0  0
    7.5703    4.4641    0.3846 C   0  0  0  0  0
    8.2377    5.6955    0.3264 C   0  0  0  0  0
    7.5343    6.9071    0.3345 C   0  0  0  0  0
    6.1379    6.8866    0.4321 C   0  0  0  0  0
    5.4738    5.6516    0.4292 C   0  0  0  0  0
    6.1728    4.4284    0.4335 C   0  0  0  0  0
    5.4095    3.1077    0.4104 C   0  0  0  0  0
    4.3296    3.0089    1.5055 C   0  0  0  0  0
    3.3038    1.9117    1.1475 C   0  0  0  0  0
    2.3053    2.3743    0.0387 C   0  0  0  0  0
    1.4857    3.6514    0.3576 C   0  0  0  0  0
    0.6834    4.1956   -0.8290 C   0  0  0  0  0
    1.2717    4.3211   -2.1037 C   0  0  0  0  0
    0.5855    4.9100   -3.1737 C   0  0  0  0  0
   -0.7030    5.4249   -2.9651 C   0  0  0  0  0
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    0.6556    3.3551    1.5414 N   0  0  0  0  0
   -1.3220    6.0102   -4.0426 O   0  0  0  0  0
   -2.2508    7.0438   -3.7363 C   0  0  0  0  0
    1.0994    5.0640   -4.4371 O   0  0  0  0  0
    2.3587    4.4682   -4.7164 C   0  0  0  0  0
    5.4544    8.0733    0.4968 O   0  0  0  0  0
    4.2598    8.0568    1.2739 C   0  0  0  0  0
    8.3477    8.0091    0.2881 O   0  0  0  0  0
    7.8032    9.1793   -0.3097 C   0  0  0  0  0
    1.7159   -1.8965    1.4415 H   0  0  0  0  0
    1.8355   -0.9493   -0.0495 H   0  0  0  0  0
    1.3598   -0.1699    1.4764 H   0  0  0  0  0
    4.0596   -1.5211    1.0005 H   0  0  0  0  0
    3.6053   -0.6005    2.4280 H   0  0  0  0  0
    3.9324    0.5073   -0.4085 H   0  0  0  0  0
    6.0475   -0.2040    0.5828 H   0  0  0  0  0
    5.7076    0.6842    2.0616 H   0  0  0  0  0
    8.1356    1.1220    0.8831 H   0  0  0  0  0
    7.4575    2.2487    2.0642 H   0  0  0  0  0
    8.5439    2.9324   -0.7274 H   0  0  0  0  0
    9.3037    3.2871    0.8348 H   0  0  0  0  0
    9.3237    5.7205    0.2625 H   0  0  0  0  0
    4.3884    5.6324    0.4031 H   0  0  0  0  0
    4.9080    3.1311   -0.5657 H   0  0  0  0  0
    3.8247    3.9575    1.6947 H   0  0  0  0  0
    4.8025    2.7734    2.4700 H   0  0  0  0  0
    2.7338    1.6980    2.0600 H   0  0  0  0  0
    1.6075    1.5571   -0.1851 H   0  0  0  0  0
    2.8730    2.5125   -0.8857 H   0  0  0  0  0
    2.1695    4.4654    0.6201 H   0  0  0  0  0
    2.2903    3.9816   -2.2474 H   0  0  0  0  0
   -2.3113    5.6661   -1.5410 H   0  0  0  0  0
   -1.8411    5.5660    0.9059 H   0  0  0  0  0
   -1.9741    3.8080    0.7127 H   0  0  0  0  0
    0.3330    5.3892    1.9882 H   0  0  0  0  0
   -0.7673    4.2686    2.7772 H   0  0  0  0  0
    0.0973    2.5249    1.3392 H   0  0  0  0  0
   -2.4028    7.6370   -4.6428 H   0  0  0  0  0
   -1.8741    7.7183   -2.9590 H   0  0  0  0  0
   -3.2162    6.6166   -3.4489 H   0  0  0  0  0
    2.3438    3.3902   -4.5217 H   0  0  0  0  0
    3.1583    4.9617   -4.1536 H   0  0  0  0  0
    2.5672    4.6089   -5.7818 H   0  0  0  0  0
    3.4256    7.6611    0.6867 H   0  0  0  0  0
    4.0201    9.0907    1.5387 H   0  0  0  0  0
    4.3836    7.4949    2.2066 H   0  0  0  0  0
    8.6411    9.8086   -0.6268 H   0  0  0  0  0
    7.2278    9.7530    0.4232 H   0  0  0  0  0
    7.2099    8.9539   -1.2028 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
Lopac-E-2375

>  <PubChem CID>
6603838

>  <Formula>
C29H40N2O4

>  <Molecular Weight>
480.649000

>  <IUPAC Name>
(2S,3S,11bR)-2-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC

>  <Isomeric SMILES>
CC[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@@H]1C[C@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21+,24+,25-/m1/s1

>  <InChI Key>
AUVVAXYIELKVAI-UQRMEHQUSA-N

