
 CHEMBL2283091

 74 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2283091

>  <PubChem CID>
76319985

>  <Formula>
C23H44Cl3N3O

>  <Molecular Weight>
484.975000

>  <IUPAC Name>
6-[4-(7-phenoxyheptyl)piperazin-1-yl]hexan-1-amine;trihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCCCCCOC2=CC=CC=C2)CCCCCCN.Cl.Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCCCCOC2=CC=CC=C2)CCCCCCN.Cl.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C23H41N3O.3ClH/c24-15-9-2-4-11-17-26-20-18-25(19-21-26)16-10-3-1-5-12-22-27-23-13-7-6-8-14-23;;;/h6-8,13-14H,1-5,9-12,15-22,24H2;3*1H

>  <InChI Key>
ATBXXEIYPRNSHD-UHFFFAOYSA-N

