Metabolite N-Desmethyl-para-hydroxy rosiglitazone

Name

N-Desmethyl-para-hydroxy rosiglitazone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 359.4
Monoisotopic: 359.093976737

Chemical Formula

C₁₇H₁₇N₃O₄S

InChI Key

SVUUNTJZVPNZSL-UHFFFAOYSA-N

InChI

InChI=1S/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23)

IUPAC Name

5-[(4-{2-[(5-hydroxypyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

SMILES

OC1=CC=C(NCCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00di-2951000000-7c06e9483705d77725d5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ik9-0379000000-0526f0855cac92a2459d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ab9-0349000000-9936539ea8190b4d2e13
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01q0-0769000000-dd091a4407c8dbce7774
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052o-6394000000-7dc4eea88627266a6fac
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0911000000-0faf12a6f1d8d74e0d6f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9300000000-338e809b9a98ef79e26f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.2693764	predicted	DarkChem Lite v0.1.0
[M-H]-	178.98848	predicted	DeepCCS 1.0 (2019)
[M+H]+	184.0221764	predicted	DarkChem Lite v0.1.0
[M+H]+	181.53094	predicted	DeepCCS 1.0 (2019)
[M+Na]+	184.2345764	predicted	DarkChem Lite v0.1.0
[M+Na]+	189.15059	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties