Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TE4 : Summary

Code

TE4

One-letter code

X

Molecule name

Tetracaine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(dimethylamino)ethyl 4-(butylamino)benzoate
OpenEye OEToolkits 1.7.6 2-(dimethylamino)ethyl 4-(butylamino)benzoate

Formula

C15 H24 N2 O2

Formal charge

0

Molecular weight

264.363 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCCN(C)C)c1ccc(NCCCC)cc1
SMILES CACTVS 3.385 CCCCNc1ccc(cc1)C(=O)OCCN(C)C
SMILES OpenEye OEToolkits 1.7.6 CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Canonical SMILES CACTVS 3.385 CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCNc1ccc(cc1)C(=O)OCCN(C)C

IUPAC InChI

InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

IUPAC InChI key

GKCBAIGFKIBETG-UHFFFAOYSA-N
TE4

wwPDB Information

Atom count

43 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-11

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned