Metabolite 5'-Hydroxytenoxicam

Name

5'-Hydroxytenoxicam

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 353.374
Monoisotopic: 353.014011857

Chemical Formula

C₁₃H₁₁N₃O₅S₂

InChI Key

INPPRTDYEGRTIU-RAXLEYEMSA-N

InChI

InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17,19H,1H3,(H,14,15)/b13-10-

IUPAC Name

(3Z)-3-{hydroxy[(5-hydroxypyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-e][1,2]thiazine-1,1,4-trione

SMILES

CN1\C(=C(/O)NC2=NC=C(O)C=C2)C(=O)C2=C(C=CS2)S1(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-2931000000-8a124e621bd74aa5d477
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0039000000-6dbfbdb31d21ce5eca74
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f79-0930000000-1577c3d6d5910750c52c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uxr-1689000000-ae9267f7eb58b95baf37
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0gb9-0890000000-c3c1bf5a21b7b07296fc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0bti-3931000000-f8016f42f0f13930dbd2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fbc-0797000000-5ff72b9b9612fa00791e

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	184.4795532	predicted	DarkChem Lite v0.1.0
[M-H]-	173.77461	predicted	DeepCCS 1.0 (2019)
[M+H]+	184.8001532	predicted	DarkChem Lite v0.1.0
[M+H]+	176.1326	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.1770532	predicted	DarkChem Lite v0.1.0
[M+Na]+	182.39725	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties