
 CHEMBL215188

 56 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL215188

>  <PubChem CID>
49797186

>  <Formula>
C23H26ClNO5

>  <Molecular Weight>
431.913000

>  <IUPAC Name>
N-[[(3S)-2,3-dihydrobenzo[g][1,4]benzodioxin-3-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC4=CC=CC=C4C=C3O2.Cl

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)OC)OCCNC[C@H]2COC3=CC4=CC=CC=C4C=C3O2.Cl

>  <InChI Std. ID>
InChI=1S/C23H25NO5.ClH/c1-25-19-8-5-9-20(26-2)23(19)27-11-10-24-14-18-15-28-21-12-16-6-3-4-7-17(16)13-22(21)29-18;/h3-9,12-13,18,24H,10-11,14-15H2,1-2H3;1H/t18-;/m0./s1

>  <InChI Key>
FVVZSOKZMFBYMX-FERBBOLQSA-N

