Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

ZM7 : Summary

Code

ZM7

One-letter code

X

Molecule name

(2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine
OpenEye OEToolkits 2.0.7 (2~{R})-~{N},~{N}-dimethyl-1-phenothiazin-10-yl-propan-2-amine

Formula

C17 H20 N2 S

Formal charge

0

Molecular weight

284.419 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)C(C)CN1c2ccccc2Sc2ccccc12
SMILES CACTVS 3.385 C[CH](CN1c2ccccc2Sc3ccccc13)N(C)C
SMILES OpenEye OEToolkits 2.0.7 CC(CN1c2ccccc2Sc3c1cccc3)N(C)C
Canonical SMILES CACTVS 3.385 C[C@H](CN1c2ccccc2Sc3ccccc13)N(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](CN1c2ccccc2Sc3c1cccc3)N(C)C

IUPAC InChI

InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/t13-/m1/s1

IUPAC InChI key

PWWVAXIEGOYWEE-CYBMUJFWSA-N
ZM7

wwPDB Information

Atom count

40 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-07

Last modified at

2022-05-06

Status

Released

Obsoleted

Not Assigned