Chemical Components in the PDB

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RIM : Summary

Code

RIM

One-letter code

X

Molecule name

RIMANTADINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanamine
OpenEye OEToolkits 1.5.0 (1R)-1-(1-adamantyl)ethanamine

Formula

C12 H21 N

Formal charge

0

Molecular weight

179.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NC(C)C13CC2CC(CC(C1)C2)C3
SMILES CACTVS 3.341 C[CH](N)C12CC3CC(CC(C3)C1)C2
SMILES OpenEye OEToolkits 1.5.0 CC(C12CC3CC(C1)CC(C3)C2)N
Canonical SMILES CACTVS 3.341 C[C@@H](N)C12CC3CC(CC(C3)C1)C2
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](C12CC3CC(C1)CC(C3)C2)N

IUPAC InChI

InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1

IUPAC InChI key

UBCHPRBFMUDMNC-RMPHRYRLSA-N
RIM

wwPDB Information

Atom count

34 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-07-19

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned