Metabolite Pioglitazone metabolite M-XI

Name

Pioglitazone metabolite M-XI

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

LDG4TR4TFE

CAS number

Not Available

Weight

Average: 388.438
Monoisotopic: 388.10929245

Chemical Formula

C₁₉H₂₀N₂O₅S

InChI Key

YYDPBNAZWVLEQF-UHFFFAOYSA-N

InChI

InChI=1S/C19H20N2O5S/c1-11(22)13-4-7-15(20-9-13)16(23)10-26-14-5-2-12(3-6-14)8-17-18(24)21-19(25)27-17/h2-7,9,11,16-17,22-23H,8,10H2,1H3,(H,21,24,25)

IUPAC Name

5-[(4-{2-hydroxy-2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione

SMILES

CC(O)C1=CN=C(C=C1)C(O)COC1=CC=C(CC2SC(=O)NC2=O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0209000000-dbad13808eda01e90701
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kr-0019000000-cb6dc43956f1b2107c58
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fk9-0529000000-a677b6db1731211a7455
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-8649000000-0f57565137ce21d0d8b3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uk9-0934000000-e5f762ebf532e2998867
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fr6-5914000000-f9427fefd5a33dc1f80c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.92424	predicted	DeepCCS 1.0 (2019)
[M+H]+	186.28224	predicted	DeepCCS 1.0 (2019)
[M+Na]+	193.42749	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties