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8AD : Summary

Code

8AD

One-letter code

X

Molecule name

9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 9-amino-N-[4-(dimethylamino)butyl]acridine-4-carboxamide
OpenEye OEToolkits 1.5.0 9-amino-N-(4-dimethylaminobutyl)acridine-4-carboxamide

Formula

C20 H24 N4 O

Formal charge

0

Molecular weight

336.431 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCCN(C)C
SMILES CACTVS 3.341 CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12
SMILES OpenEye OEToolkits 1.5.0 CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N
Canonical SMILES CACTVS 3.341 CN(C)CCCCNC(=O)c1cccc2c(N)c3ccccc3nc12
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N

IUPAC InChI

InChI=1S/C20H24N4O/c1-24(2)13-6-5-12-22-20(25)16-10-7-9-15-18(21)14-8-3-4-11-17(14)23-19(15)16/h3-4,7-11H,5-6,12-13H2,1-2H3,(H2,21,23)(H,22,25)

IUPAC InChI key

AMFZHKPIXJORQY-UHFFFAOYSA-N
8AD

wwPDB Information

Atom count

49 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned