
 CHEMBL346626

 65 69  0  0  0  0  0  0  0  0999 V2000
    0.5756    1.6814    0.1009 C   0  0  0  0  0
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  1  2  1  0  0  0
  1  6  1  0  0  0
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  2 36  1  0  0  0
  3  8  1  0  0  0
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  7 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL346626

>  <PubChem CID>
15037921

>  <Formula>
C29H33ClN2

>  <Molecular Weight>
445.047000

>  <IUPAC Name>
(2R,3R)-2-benzhydryl-N-[3-(2-chlorophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)NCCCC5=CC=CC=C5Cl

>  <Isomeric SMILES>
C1CN2CCC1[C@H]([C@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCCCC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C29H33ClN2/c30-26-16-8-7-10-22(26)15-9-19-31-28-25-17-20-32(21-18-25)29(28)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,10-14,16,25,27-29,31H,9,15,17-21H2/t28-,29-/m1/s1

>  <InChI Key>
RGXKBMFDOAFNBV-FQLXRVMXSA-N

