Metabolite (R)-(-)-Mexiletine, N-hydroxy
- Name
- (R)-(-)-Mexiletine, N-hydroxy
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 195.262
Monoisotopic: 195.125928791 - Chemical Formula
- C11H17NO2
- InChI Key
- ABMUWCMGKRQAIK-SNVBAGLBSA-N
- InChI
- InChI=1S/C11H17NO2/c1-8-5-4-6-9(2)11(8)14-7-10(3)12-13/h4-6,10,12-13H,7H2,1-3H3/t10-/m1/s1
- IUPAC Name
- N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]hydroxylamine
- SMILES
- [H]N(O)[C@]([H])(C([H])([H])[H])C([H])([H])OC1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]
- Reactions
- (2R)-1-(2,6-dimethylphenoxy)propan-2-amine (R)-(-)-Mexiletine, N-hydroxy
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 150.42935 predictedDeepCCS 1.0 (2019) [M+H]+ 152.39967 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.16803 predictedDeepCCS 1.0 (2019) - External Links
- ZINC
- ZINC000006071741
- Predicted Properties
Property Value Source Water Solubility 1.24 mg/mL ALOGPS logP 1.67 ALOGPS logP 2.57 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 15.63 Chemaxon pKa (Strongest Basic) 4.22 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 41.49 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 67.23 m3·mol-1 Chemaxon Polarizability 22.12 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon