Chemical Components in the PDB

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Z80 : Summary

Code

Z80

One-letter code

X

Molecule name

3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine

Formula

C17 H19 Cl N2 S

Formal charge

0

Molecular weight

318.864 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
SMILES OpenEye OEToolkits 1.7.0 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
Canonical SMILES CACTVS 3.352 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
Canonical SMILES OpenEye OEToolkits 1.7.0 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

IUPAC InChI

InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

IUPAC InChI key

ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Z80

wwPDB Information

Atom count

40 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned