Metabolite 10-hydroxy topiramate

Name

10-hydroxy topiramate

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

S8RVF7MS5R

CAS number

Not Available

Weight

Average: 355.36
Monoisotopic: 355.093702434

Chemical Formula

C₁₂H₂₁NO₉S

InChI Key

RWNDWLAEFHRSEG-FBHFSLSBSA-N

InChI

InChI=1S/C12H21NO9S/c1-10(2)21-9-8-7(19-11(3,5-14)20-8)4-17-12(9,22-10)6-18-23(13,15)16/h7-9,14H,4-6H2,1-3H3,(H2,13,15,16)/t7-,8-,9+,11+,12+/m1/s1

IUPAC Name

[(1R,2S,6S,9R,11S)-11-(hydroxymethyl)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate

SMILES

[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])O[C@@](C)(CO)O2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-a8d3a1ecaf30291c9e05
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0029000000-1efb5ee1e7f2c4290da3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052s-0049000000-2c8953750ff21fb09bec
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-2092000000-e00838ca60192d201732
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-053v-6290000000-40c99e7a8df76b8254ab
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-e24180852f487823b26b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.6815365	predicted	DarkChem Lite v0.1.0
[M-H]-	176.8945	predicted	DeepCCS 1.0 (2019)
[M+H]+	178.7191365	predicted	DarkChem Lite v0.1.0
[M+H]+	180.19212	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.6837365	predicted	DarkChem Lite v0.1.0
[M+Na]+	187.61833	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties