Chemical Components in the PDB

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MXM : Summary

Code

MXM

One-letter code

X

Molecule name

4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

Synonyms

Meloxicam

Systematic names

ProgramVersionName
ACDLabs 12.01 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
OpenEye OEToolkits 1.7.6 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxidanyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazine-3-carboxamide

Formula

C14 H13 N3 O4 S2

Formal charge

0

Molecular weight

351.401 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C
SMILES CACTVS 3.385 CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3
SMILES OpenEye OEToolkits 1.7.6 Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O
Canonical SMILES CACTVS 3.385 CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O

IUPAC InChI

InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)

IUPAC InChI key

ZRVUJXDFFKFLMG-UHFFFAOYSA-N
MXM

wwPDB Information

Atom count

36 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-08-09

Last modified at

2014-01-17

Status

Released

Obsoleted

Not Assigned