
 CHEMBL255692

 88 89  0  0  0  0  0  0  0  0999 V2000
    2.3220    3.3272   -0.4430 C   0  0  0  0  0
    3.3585    3.3462   -1.4964 N   0  0  0  0  0
    3.2664    2.1392   -2.3591 C   0  0  0  0  0
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    1.2958    2.0144   -7.0200 C   0  0  0  0  0
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    0.2157   -0.1244    6.2268 Cl  0  0  0  0  0
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    2.4644    2.4704    0.2510 H   0  0  0  0  0
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    4.9536    2.4685   -0.4025 H   0  0  0  0  0
    4.2950    4.6659    0.8678 H   0  0  0  0  0
    4.6880    5.5226   -0.6524 H   0  0  0  0  0
    6.7146    6.6082   -0.5505 H   0  0  0  0  0
    6.1853    6.7319    1.1776 H   0  0  0  0  0
    7.8718    6.2304    0.7502 H   0  0  0  0  0
    6.0086    4.6391    2.5341 H   0  0  0  0  0
    7.6995    4.3039    2.0186 H   0  0  0  0  0
    6.9926    2.1426    1.0060 H   0  0  0  0  0
    5.3258    2.4077    1.6686 H   0  0  0  0  0
    7.8273    2.3659    3.4543 H   0  0  0  0  0
    6.1122    2.5403    3.9293 H   0  0  0  0  0
    6.7937   -2.2127    3.2186 H   0  0  0  0  0
    8.4390   -3.6462    2.0775 H   0  0  0  0  0
   10.2923   -2.6361    0.7837 H   0  0  0  0  0
   10.5026   -0.1750    0.6358 H   0  0  0  0  0
    8.9005    1.2806    1.7664 H   0  0  0  0  0
    4.8046   -0.6338    5.1044 H   0  0  0  0  0
    5.1130   -1.1508    7.4806 H   0  0  0  0  0
    7.2647   -0.6640    8.6039 H   0  0  0  0  0
    9.1294    0.3491    7.3274 H   0  0  0  0  0
    8.8592    0.8765    4.9400 H   0  0  0  0  0
    5.3511    0.0897    1.9174 H   0  0  0  0  0
    1.5615   -0.3217    6.0216 H   0  0  0  0  0
   -4.1040   -3.2204    0.5231 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  1 45  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
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  3 47  1  0  0  0
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  5  6  1  0  0  0
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  6 13  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL255692

>  <PubChem CID>
49797390

>  <Formula>
C36H46Cl2N2O2

>  <Molecular Weight>
609.676000

>  <IUPAC Name>
4-[2-[(4-hydroxy-4,4-diphenylbutyl)-methylamino]ethyl-methylamino]-1,1-diphenylbutan-1-ol;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCN(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl.Cl

>  <Isomeric SMILES>
CN(CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCN(C)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C36H44N2O2.2ClH/c1-37(27-15-25-35(39,31-17-7-3-8-18-31)32-19-9-4-10-20-32)29-30-38(2)28-16-26-36(40,33-21-11-5-12-22-33)34-23-13-6-14-24-34;;/h3-14,17-24,39-40H,15-16,25-30H2,1-2H3;2*1H

>  <InChI Key>
AGLGNGYZLGAMMU-UHFFFAOYSA-N

