
 CHEMBL545532

 88 89  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL545532

>  <PubChem CID>
45261860

>  <Formula>
C28H51ClN4O4

>  <Molecular Weight>
543.190000

>  <IUPAC Name>
8-[[4-(1,4-dioxa-8,11-diazacyclotetradec-8-ylmethyl)phenyl]methyl]-1,4-dioxa-8,11-diazacyclotetradecane;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CNCCN(CCCOCCOC1)CC2=CC=C(C=C2)CN3CCCOCCOCCCNCC3.Cl

>  <Isomeric SMILES>
C1CNCCN(CCCOCCOC1)CC2=CC=C(C=C2)CN3CCCOCCOCCCNCC3.Cl

>  <InChI Std. ID>
InChI=1S/C28H50N4O4.ClH/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32;/h5-8,29-30H,1-4,9-26H2;1H

>  <InChI Key>
CZHPBFARUSNJCY-UHFFFAOYSA-N

