Metabolite 5'-Hydroxylornoxicam

Name

5'-Hydroxylornoxicam

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 387.81
Monoisotopic: 386.9750405

Chemical Formula

C₁₃H₁₀ClN₃O₅S₂

InChI Key

CDAPXAMBZODQBD-JLHYYAGUSA-N

InChI

InChI=1S/C13H10ClN3O5S2/c1-17-10(13(20)16-9-3-2-6(18)5-15-9)11(19)12-7(24(17,21)22)4-8(14)23-12/h2-5,18,20H,1H3,(H,15,16)/b13-10+

IUPAC Name

(3E)-6-chloro-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=C(Cl)S2)S1(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-0049000000-b1bf7bb0311b058a906c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0119000000-d069ffc553219bae2159
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-1697000000-9bb8ad3278c4dff5d645
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0012-1591000000-ec62cc63c6f6c599a900
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4r-0149000000-3b7bfc7405bc1f0ccdd0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0540-5933000000-ab5ff1f1b16899d69fb6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	175.84355	predicted	DeepCCS 1.0 (2019)
[M+H]+	178.20155	predicted	DeepCCS 1.0 (2019)
[M+Na]+	184.71803	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties