Metabolite (R)-(-)-Mexiletine, m-hydroxyl

Name

(R)-(-)-Mexiletine, m-hydroxyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 195.262
Monoisotopic: 195.125928791

Chemical Formula

C₁₁H₁₇NO₂

InChI Key

LBHCZYGJQAXJSW-MRVPVSSYSA-N

InChI

InChI=1S/C11H17NO2/c1-7-4-5-10(13)9(3)11(7)14-6-8(2)12/h4-5,8,13H,6,12H2,1-3H3/t8-/m1/s1

IUPAC Name

3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol

SMILES

[H]N([H])[C@]([H])(C([H])([H])[H])C([H])([H])OC1=C(C(O)=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-054t-3900000000-ad25069835c17d1ff870
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0900000000-ea8d6198b44e7bfc5dd4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dl-7900000000-3b6f2445d79482c972b7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0900000000-d0540655171594ff5afb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0596-7900000000-9da1c381490c85c4b003
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9800000000-84e7bbf7651afec4955d

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	148.62343	predicted	DeepCCS 1.0 (2019)
[M+H]+	150.91534	predicted	DeepCCS 1.0 (2019)
[M+Na]+	156.71611	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties