
 MLS000587374

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M  END

>  <Chemical Name>
MLS000587374

>  <PubChem CID>
12005598

>  <Formula>
C30H45ClN2O4

>  <Molecular Weight>
533.150000

>  <IUPAC Name>
2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCOC1=CC=C(C=C1)C(=O)C(CCC(CNCC)C(=O)C2=CC=C(C=C2)OCCC)CNCC.Cl

>  <Isomeric SMILES>
CCCOC1=CC=C(C=C1)C(=O)C(CCC(CNCC)C(=O)C2=CC=C(C=C2)OCCC)CNCC.Cl

>  <InChI Std. ID>
InChI=1S/C30H44N2O4.ClH/c1-5-19-35-27-15-11-23(12-16-27)29(33)25(21-31-7-3)9-10-26(22-32-8-4)30(34)24-13-17-28(18-14-24)36-20-6-2;/h11-18,25-26,31-32H,5-10,19-22H2,1-4H3;1H

>  <InChI Key>
MFKLIPXMBOATPW-UHFFFAOYSA-N

