
 CHEMBL542298

 70 70  0  0  0  0  0  0  0  0999 V2000
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    4.5829    1.1914    1.6854 H   0  0  0  0  0
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    6.8654    2.4953    0.1612 H   0  0  0  0  0
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    5.1367    5.4492    1.6468 H   0  0  0  0  0
    6.4071    7.2800    0.6006 H   0  0  0  0  0
    7.7548    7.0243    1.7884 H   0  0  0  0  0
    4.8541    7.7376    2.5132 H   0  0  0  0  0
    6.2765    8.8468    2.5240 H   0  0  0  0  0
    6.2128    7.4605    3.6776 H   0  0  0  0  0
    8.7476    3.5214    0.6295 H   0  0  0  0  0
    8.6734    4.8284    1.8218 H   0  0  0  0  0
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    8.6083    5.0438   -1.2769 H   0  0  0  0  0
   10.7499    4.5687   -2.1457 H   0  0  0  0  0
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    2.2968   -0.5526   -3.2938 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL542298

>  <PubChem CID>
18986837

>  <Formula>
C26H40ClNO2

>  <Molecular Weight>
434.061000

>  <IUPAC Name>
N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylhexan-1-amine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.Cl

>  <Isomeric SMILES>
CCCCCCN(CCC)CCC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.Cl

>  <InChI Std. ID>
InChI=1S/C26H39NO2.ClH/c1-4-6-7-11-19-27(18-5-2)20-16-24-14-15-25(28-3)26(22-24)29-21-17-23-12-9-8-10-13-23;/h8-10,12-15,22H,4-7,11,16-21H2,1-3H3;1H

>  <InChI Key>
ADLNPXOIUPZGKZ-UHFFFAOYSA-N

