Metabolite 6-OH-gliclazide

Name

6-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

VUUZEWXIRFGRFE-UHFFFAOYSA-N

InChI

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

IUPAC Name

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

SMILES

[H]N(N1C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])(O)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	splash10-000t-9324000000-a28ee1fa2e92b97e3643
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0409000000-1fdffbc1c11b5e9c7a6b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-1329000000-01923382d624f7aef691
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-3419000000-e0c29dcbdc1d24272434
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-2900000000-26fa268aa41f112e666d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9632000000-ccceb447f2658f0842e1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05fr-6901000000-c065498c3c67c06b23a2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.7522175	predicted	DarkChem Lite v0.1.0
[M-H]-	170.01097	predicted	DeepCCS 1.0 (2019)
[M+H]+	188.3849175	predicted	DarkChem Lite v0.1.0
[M+H]+	172.36897	predicted	DeepCCS 1.0 (2019)
[M+Na]+	187.1979175	predicted	DarkChem Lite v0.1.0
[M+Na]+	178.82884	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties