Metabolite 7-α-Hydroxygliclazide

Name

7-α-Hydroxygliclazide

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-CLLJXQQHSA-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)/t11-,12+,13-

IUPAC Name

3-[(3aR,5S,6aS)-5-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl]-1-(4-methylbenzenesulfonyl)urea

SMILES

[H][C@@]12C[C@H](O)C[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
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, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-4219000000-77da6ab82f87d6d8670c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-1900000000-3935692093422bb0e9a0
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]-	179.37952	predicted	DeepCCS 1.0 (2019)
[M+H]+	181.77509	predicted	DeepCCS 1.0 (2019)
[M+Na]+	187.6876	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties