| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 13 | Yes |
Popular Name: Mexiletine hydrochloride Mexiletine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 180966-61-4 , 31828-71-4 , 5370-01-4 , 5370-01-4, 31828-71-4 [me , 5370-01-4, 31828-71-4 [mexiletine] , [31828-71-4] , [5370-01-4]
(+-)-1-(2,6-dimethylphenoxy)propan-2-amine
(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
(2RS)-1-(2,6-dimethylphenoxy)-2-aminopropane
1-(2',6'-Dimethylphenoxy)-2-aminopropane
1-(2,4-Dimethylphenoxy)-2-propanamine
1-(2,6-Dimethylphenoxy)-2-Propanamine
1-(2,6-dimethylphenoxy)-2-propanamine hydrochloride
1-(2,6-Dimethylphenoxy)propan-2-amine
1-(2,6-Xylyloxy)-2-aminopropane
1-methyl-2-(2,6-xylyloxy)ethanamine
1-Methyl-2-(2,6-xylyloxy)ethylamine
2-(2-Aminopropoxy)-1,3-DiMethyl-Benzene Hydrochloride
2-(2-aminopropoxy)-1,3-dimethylbenzene
2-(2-aminopropoxy)-1,3-dimethylbenzene hydrochloride
2-Propanamine, 1-(2,6-dimethylphenoxy)-
31828-71-4; C07220; Mexiletine
31828-71-4; D08215; Mexiletine (INN)
5370-01-4; D00639; Mexiletine hydrochloride (JP16/USP); Mexitil (TN)
5370-01-4; Mexiletine hydrochloride; Prestwick_666
CPD000326711; Mexiletine hydrochloride; SAM002264606
CPD000326711; Mexitil; SAM002264606
ETHYLAMINE, 1-METHYL-2-(2,6-XYLYLOXY)-
INN); Mexiletine Hydrochloride (FDA
Mexiletina [INN-Spanish];Mexiletinum [INN-Latin];Mexilitine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.00 | 4.38 | -41.8 | 3 | 2 | 1 | 37 | 180.271 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4 | -3.75 | 2 | 2 | 0 | 35 | 179.263 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 200 - 203 | Enamine Building Blocks |
| MP | 200...203 | Enamine Building Blocks |
| MP | 202 | TCI |
| ALOGPS_SOLUBILITY | 5.38e-01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Therapy | antiarrhythmic | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0129284A2; EP0129285A2; EP0129285B1; EP0132578A1; EP0137769A1; EP0208617A1; EP0224566A1; EP0263208A2; EP0286979A1; EP0290377A1; EP0290377B1; EP0302577A2; EP0302693A2; EP0302693B1; EP0304137A2; EP0306440A2; EP0314206A1; EP0314206B1; EP0324791A1; EP032479 | IBM Patent Data |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-3597; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-3597; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Sodium Channel | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 10000 | 0.54 | Binding ≤ 10μM |
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 10000 | 0.54 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 2900 | 0.60 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins | |
| Voltage gated Potassium channels |
