
 LASSBio-675

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M  END

>  <Chemical Name>
LASSBio-675

>  <PubChem CID>
53329785

>  <Formula>
C21H27ClN2O2

>  <Molecular Weight>
374.909000

>  <IUPAC Name>
1-[4-(1,3-benzodioxol-5-yl)butyl]-4-phenylpiperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C21H26N2O2.ClH/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)11-5-4-6-18-9-10-20-21(16-18)25-17-24-20;/h1-3,7-10,16H,4-6,11-15,17H2;1H

>  <InChI Key>
HYTDLBCKACASOU-UHFFFAOYSA-N

