Chemical Components in the PDB

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DPZ : Summary

Code

DPZ

One-letter code

X

Molecule name

3,5-DIAMINOPHTHALHYDRAZIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 5,7-diamino-2,3-dihydrophthalazine-1,4-dione
OpenEye OEToolkits 1.5.0 5,7-diamino-2,3-dihydrophthalazine-1,4-dione

Formula

C8 H8 N4 O2

Formal charge

0

Molecular weight

192.175 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c1c(cc(cc1N)N)C(=O)NN2
SMILES CACTVS 3.341 Nc1cc(N)c2C(=O)NNC(=O)c2c1
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c2c1C(=O)NNC2=O)N)N
Canonical SMILES CACTVS 3.341 Nc1cc(N)c2C(=O)NNC(=O)c2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c2c1C(=O)NNC2=O)N)N

IUPAC InChI

InChI=1S/C8H8N4O2/c9-3-1-4-6(5(10)2-3)8(14)12-11-7(4)13/h1-2H,9-10H2,(H,11,13)(H,12,14)

IUPAC InChI key

BAOICLZZDLLDRL-UHFFFAOYSA-N
DPZ

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-06-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned