
 LASSBio-682

 47 49  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
LASSBio-682

>  <PubChem CID>
53329790

>  <Formula>
C19H22Cl2N2O2

>  <Molecular Weight>
381.297000

>  <IUPAC Name>
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-chlorophenyl)piperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C19H21ClN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H

>  <InChI Key>
UZDCRAOBOSJCEU-UHFFFAOYSA-N

