AN9

1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE

Created:	2004-10-26
Last modified:	2011-06-04

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1 entries where AN9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	0
Bond Count	74
Aromatic Bond Count	12

2D diagram of AN9

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Chemical Component Summary
Name	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE
Systematic Name (OpenEye OEToolkits)	3-diethylamino-N-[5-(3-diethylaminopropanoylamino)-9,10-dioxo-anthracen-1-yl]propanamide
Formula	C₂₈ H₃₆ N₄ O₄
Molecular Weight	492.61
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc3c2C(=O)c1cccc(c1C(=O)c2ccc3)NC(=O)CCN(CC)CC)CCN(CC)CC
SMILES	CACTVS	3.341	CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(NC(=O)CCN(CC)CC)cccc3C(=O)c12
SMILES	OpenEye OEToolkits	1.5.0	CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC
Canonical SMILES	CACTVS	3.341	CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(NC(=O)CCN(CC)CC)cccc3C(=O)c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC
InChI	InChI	1.03	InChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)
InChIKey	InChI	1.03	VJLWMFJSEUYNRS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10767451
ChEMBL	CHEMBL144664

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