Chemical Components in the PDB

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PMZ : Summary

Code

PMZ

One-letter code

X

Molecule name

1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE

Synonyms

ACETYLPROMAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone
OpenEye OEToolkits 1.5.0 1-[10-(3-dimethylaminopropyl)phenothiazin-2-yl]ethanone

Formula

C19 H22 N2 O S

Formal charge

0

Molecular weight

326.456 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C
SMILES CACTVS 3.341 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C
Canonical SMILES CACTVS 3.341 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C

IUPAC InChI

InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3

IUPAC InChI key

NOSIYYJFMPDDSA-UHFFFAOYSA-N
PMZ

wwPDB Information

Atom count

45 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-06-20

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned