Chemical Components in the PDB

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2PM : Summary

Code

2PM

One-letter code

X

Molecule name

N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE

Synonyms

DIPHENHYDRAMINE
ANTISTOMINUM
BENZHYDRAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(diphenylmethoxy)-N,N-dimethylethanamine
OpenEye OEToolkits 1.5.0 2-benzhydryloxy-N,N-dimethyl-ethanamine

Formula

C17 H21 N O

Formal charge

0

Molecular weight

255.355 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCN(C)C)C(c1ccccc1)c2ccccc2
SMILES CACTVS 3.341 CN(C)CCOC(c1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 CN(C)CCOC(c1ccccc1)c2ccccc2
Canonical SMILES CACTVS 3.341 CN(C)CCOC(c1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)CCOC(c1ccccc1)c2ccccc2

IUPAC InChI

InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

IUPAC InChI key

ZZVUWRFHKOJYTH-UHFFFAOYSA-N
2PM

wwPDB Information

Atom count

40 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-30

Last modified at

2020-05-26

Status

Released

Obsoleted

Not Assigned