
 CHEMBL385371

 62 65  0  0  0  0  0  0  0  0999 V2000
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   -5.9512    0.2231    3.6739 C   0  0  0  0  0
    4.3637   -0.1647   -5.2437 Cl  0  0  0  0  0
    3.2961   -1.5114    1.1351 H   0  0  0  0  0
    4.7625   -0.9669    0.2450 H   0  0  0  0  0
    4.3681   -0.2753    1.8876 H   0  0  0  0  0
    1.2312    4.6845   -1.3151 H   0  0  0  0  0
    2.0961    6.8895   -1.9664 H   0  0  0  0  0
    4.5257    7.3525   -1.9129 H   0  0  0  0  0
    6.1114    5.6033   -1.2049 H   0  0  0  0  0
    6.5398    3.3308   -0.4139 H   0  0  0  0  0
    5.7414    1.1421    0.2703 H   0  0  0  0  0
    0.8856    0.9454    0.8888 H   0  0  0  0  0
    1.0046    0.3666   -0.8413 H   0  0  0  0  0
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   -1.1405    2.2318    0.3319 H   0  0  0  0  0
   -1.2386   -0.5996   -0.6076 H   0  0  0  0  0
   -3.2810    0.6097   -1.0332 H   0  0  0  0  0
   -3.2890    1.1355    0.6978 H   0  0  0  0  0
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    4.2286   -0.9049   -4.0922 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
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  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
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 31 61  1  0  0  0
 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL385371

>  <PubChem CID>
11994672

>  <Formula>
C26H30ClNO4

>  <Molecular Weight>
455.979000

>  <IUPAC Name>
N-[[(3S)-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-3-yl]methyl]-2-(2-methoxynaphthalen-1-yl)oxyethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C2=CC=CC=C2C=C1)OCCNCC3COC4=C(O3)C=C5CCCCC5=C4.Cl

>  <Isomeric SMILES>
COC1=C(C2=CC=CC=C2C=C1)OCCNC[C@H]3COC4=C(O3)C=C5CCCCC5=C4.Cl

>  <InChI Std. ID>
InChI=1S/C26H29NO4.ClH/c1-28-23-11-10-18-6-4-5-9-22(18)26(23)29-13-12-27-16-21-17-30-24-14-19-7-2-3-8-20(19)15-25(24)31-21;/h4-6,9-11,14-15,21,27H,2-3,7-8,12-13,16-17H2,1H3;1H/t21-;/m0./s1

>  <InChI Key>
BXAUNYRCMJYSAD-BOXHHOBZSA-N

