
 CHEMBL346633

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL346633

>  <PubChem CID>
15037919

>  <Formula>
C28H32N2

>  <Molecular Weight>
396.578000

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

>  <XlogP>
5.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

>  <Isomeric SMILES>
CC1=CC=CC=C1CN[C@H]2[C@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H32N2/c1-21-10-8-9-15-25(21)20-29-27-24-16-18-30(19-17-24)28(27)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26-29H,16-20H2,1H3/t27-,28-/m1/s1

>  <InChI Key>
KHWRHXNNDGPGGG-VSGBNLITSA-N

