Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

AO : Summary

Code

AO

One-letter code

X

Molecule name

ACRIDINE ORANGE

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.5.0 N,N,N',N'-tetramethylacridin-10-ium-3,6-diamine

Formula

C17 H20 N3

Formal charge

1

Molecular weight

266.361 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 2.87 CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C
SMILES OpenEye OEToolkits 1.5.0 CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C
Canonical SMILES CACTVS 2.87 CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C

IUPAC InChI

InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3/p+1

IUPAC InChI key

DPKHZNPWBDQZCN-UHFFFAOYSA-O
AO

wwPDB Information

Atom count

40 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2016-03-25

Status

Released

Obsoleted

Not Assigned