
 CID 44400979

 92 93  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4   6   1  15   1  47  -1  48  -1
M  END

>  <Chemical Name>
CID 44400979

>  <PubChem CID>
44400979

>  <Formula>
C34H48Br2N4O4

>  <Molecular Weight>
736.590000

>  <IUPAC Name>
2-[(1,3-dioxoisoindol-2-yl)methyl]pentyl-[6-[2-[(1,3-dioxoisoindol-2-yl)methyl]pentylazaniumyl]hexyl]azanium;dibromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCC(C[NH2+]CCCCCC[NH2+]CC(CCC)CN1C(=O)C2=CC=CC=C2C1=O)CN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]

>  <Isomeric SMILES>
CCCC(C[NH2+]CCCCCC[NH2+]CC(CCC)CN1C(=O)C2=CC=CC=C2C1=O)CN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]

>  <InChI Std. ID>
InChI=1S/C34H46N4O4.2BrH/c1-3-13-25(23-37-31(39)27-15-7-8-16-28(27)32(37)40)21-35-19-11-5-6-12-20-36-22-26(14-4-2)24-38-33(41)29-17-9-10-18-30(29)34(38)42;;/h7-10,15-18,25-26,35-36H,3-6,11-14,19-24H2,1-2H3;2*1H

>  <InChI Key>
HHSBAFZJSAMCRM-UHFFFAOYSA-N

