Chemical Components in the PDB

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ID8 : Summary

Code

ID8

One-letter code

X

Molecule name

2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID

Synonyms

MEFENAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[(2,3-dimethylphenyl)amino]benzoic acid
OpenEye OEToolkits 1.6.1 2-[(2,3-dimethylphenyl)amino]benzoic acid

Formula

C15 H15 N O2

Formal charge

0

Molecular weight

241.285 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c2c(Nc1cccc(c1C)C)cccc2
SMILES CACTVS 3.352 Cc1cccc(Nc2ccccc2C(O)=O)c1C
SMILES OpenEye OEToolkits 1.6.1 Cc1cccc(c1C)Nc2ccccc2C(=O)O
Canonical SMILES CACTVS 3.352 Cc1cccc(Nc2ccccc2C(O)=O)c1C
Canonical SMILES OpenEye OEToolkits 1.6.1 Cc1cccc(c1C)Nc2ccccc2C(=O)O

IUPAC InChI

InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)

IUPAC InChI key

HYYBABOKPJLUIN-UHFFFAOYSA-N
ID8

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-07-30

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned