
 SCHEMBL9815317

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M  END

>  <Chemical Name>
SCHEMBL9815317

>  <PubChem CID>
67933935

>  <Formula>
C26H30Cl2N2O7

>  <Molecular Weight>
553.433000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;2,3-dihydroxybutanedioic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCN(C1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=C(C=C4)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O

>  <Isomeric SMILES>
C1CCN(C1)CC2C3=CC=CC=C3CCN2C(=O)CC4=CC(=C(C=C4)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C22H24Cl2N2O.C4H6O6/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25;5-1(3(7)8)2(6)4(9)10/h1-2,5-8,13,21H,3-4,9-12,14-15H2;1-2,5-6H,(H,7,8)(H,9,10)

>  <InChI Key>
AWMJSBTWSRJJOZ-UHFFFAOYSA-N

