Chemical Components in the PDB

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9AD : Summary

Code

9AD

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 10.04 9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
OpenEye OEToolkits 1.5.0 9-amino-N-(2-dimethylaminoethyl)acridine-4-carboxamide

Formula

C18 H20 N4 O

Formal charge

0

Molecular weight

308.378 Da

SMILES

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

IUPAC InChI

InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)

IUPAC InChI key

YLGMVQJPGUHTRO-UHFFFAOYSA-N
9AD

wwPDB Information

Atom count

43 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned