Chemical Components in the PDB

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R5R : Summary

Code

R5R

One-letter code

X

Molecule name

Zolpidem

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethyl-2-[(4S)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
OpenEye OEToolkits 2.0.7 ~{N},~{N}-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamide

Formula

C19 H21 N3 O

Formal charge

0

Molecular weight

307.39 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1
SMILES CACTVS 3.385 CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C
Canonical SMILES CACTVS 3.385 CN(C)C(=O)Cc1n2cc(C)ccc2nc1c3ccc(C)cc3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C

IUPAC InChI

InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3

IUPAC InChI key

ZAFYATHCZYHLPB-UHFFFAOYSA-N
R5R

wwPDB Information

Atom count

44 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-20

Last modified at

2022-08-12

Status

Released

Obsoleted

Not Assigned