Chemical Components in the PDB

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377 : Summary

Code

377

One-letter code

X

Molecule name

Memantine

Systematic names

ProgramVersionName
ACDLabs 12.01 (1r,3R,5S,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine
OpenEye OEToolkits 1.9.2 (3S,5R)-3,5-dimethyladamantan-1-amine

Formula

C12 H21 N

Formal charge

0

Molecular weight

179.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC12CC3(CC(C1)(CC(C2)C3)C)C
SMILES CACTVS 3.385 C[C]12CC3C[C](C)(C1)CC(N)(C3)C2
SMILES OpenEye OEToolkits 1.9.2 CC12CC3CC(C1)(CC(C3)(C2)N)C
Canonical SMILES CACTVS 3.385 C[C@@]12CC3C[C@@](C)(C1)CC(N)(C3)C2
Canonical SMILES OpenEye OEToolkits 1.9.2 C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C

IUPAC InChI

InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-

IUPAC InChI key

BUGYDGFZZOZRHP-CDECOKDKSA-N
377

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

2014-07-01

Last modified at

2014-09-19

Status

Released

Obsoleted

Not Assigned