
 CID 56850927

 59 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 56850927

>  <PubChem CID>
56850927

>  <Formula>
C21H31ClN2O3S

>  <Molecular Weight>
427.000000

>  <IUPAC Name>
3-[8-(3,4-dihydro-2H-chromen-2-ylmethylamino)octyl]-1,3-thiazolidine-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=CC=CC=C2OC1CNCCCCCCCCN3C(=O)CSC3=O.Cl

>  <Isomeric SMILES>
C1CC2=CC=CC=C2OC1CNCCCCCCCCN3C(=O)CSC3=O.Cl

>  <InChI Std. ID>
InChI=1S/C21H30N2O3S.ClH/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18;/h5-6,9-10,18,22H,1-4,7-8,11-16H2;1H

>  <InChI Key>
DDVVFHDKVIBSFT-UHFFFAOYSA-N

