
 CHEMBL512896

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL512896

>  <PubChem CID>
11462727

>  <Formula>
C23H30N2O2

>  <Molecular Weight>
366.505000

>  <IUPAC Name>
(7R,9S)-7-[[(3S,4S)-3-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1C2CCN(CC2O)CC3CCC4=C(C(C3)O)N=CC=C4

>  <Isomeric SMILES>
CC1=CC=CC=C1[C@@H]2CCN(C[C@H]2O)C[C@@H]3CCC4=C([C@H](C3)O)N=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H30N2O2/c1-16-5-2-3-7-19(16)20-10-12-25(15-22(20)27)14-17-8-9-18-6-4-11-24-23(18)21(26)13-17/h2-7,11,17,20-22,26-27H,8-10,12-15H2,1H3/t17-,20+,21+,22-/m1/s1

>  <InChI Key>
BIPYJOQSCUNINC-KDXIVRHGSA-N

