Metabolite 7-OH-gliclazide

Name

7-OH-gliclazide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 339.41
Monoisotopic: 339.125276865

Chemical Formula

C₁₅H₂₁N₃O₄S

InChI Key

JMHDCYDSYHLATB-UHFFFAOYSA-N

InChI

InChI=1S/C15H21N3O4S/c1-10-2-4-14(5-3-10)23(21,22)17-15(20)16-18-8-11-6-13(19)7-12(11)9-18/h2-5,11-13,19H,6-9H2,1H3,(H2,16,17,20)

IUPAC Name

3-{5-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl}-1-(4-methylbenzenesulfonyl)urea

SMILES

[H]N(N1C([H])([H])C2([H])C([H])([H])C([H])(O)C([H])([H])C2([H])C1([H])[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-008c-9774000000-8f724efc313ac06d86d9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0009000000-04b586ff677db3d3c467
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0309000000-32ee153a572652ff8f46
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-1900000000-3935692093422bb0e9a0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-4219000000-77da6ab82f87d6d8670c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05i0-5900000000-d580f3b7c3e7dfbeb00b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9831000000-bb5f4374025eb78518aa

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	185.5890175	predicted	DarkChem Lite v0.1.0
[M-H]-	169.28377	predicted	DeepCCS 1.0 (2019)
[M+H]+	186.5411175	predicted	DarkChem Lite v0.1.0
[M+H]+	171.64177	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.6645175	predicted	DarkChem Lite v0.1.0
[M+Na]+	178.18837	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties