1-(2,6-Dimethylphenoxy)-2-propanamine hydrochloride - CAS 5370-01-4
Catalog: |
BB028330 |
Product Name: |
1-(2,6-Dimethylphenoxy)-2-propanamine hydrochloride |
CAS: |
5370-01-4 |
Synonyms: |
1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride |
Application: |
Voltage-Gated Sodium Channel Blockers |
IUPAC Name: | 1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride |
Description: | Mexiletine HCl belongs to Class IB anti-arrhythmic group of medicines, inhibits sodium channels to reduce the inward sodium current. |
Molecular Weight: | 215.72 |
Molecular Formula: | C11H18ClNO |
Canonical SMILES: | CC1=C(C(=CC=C1)C)OCC(C)N.Cl |
InChI: | InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H |
InChI Key: | NFEIBWMZVIVJLQ-UHFFFAOYSA-N |
Boiling Point: | 271.5 ℃ at 760 mmHg |
Purity: | > 98 % |
Density: | 0.979 g/cm3 |
Solubility: | >32.4 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00216024 |
LogP: | 3.53170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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US-2021177867-A1 | Compositions of bile acids and phenylbutyrate compounds | 20191216 |
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PMID | Publication Date | Title | Journal |
32808185 | 20201201 | Effect of common medications on the expression of SARS-CoV-2 entry receptors in liver tissue | Archives of toxicology |
28108177 | 20170301 | Discriminating between adaptive and carcinogenic liver hypertrophy in rat studies using logistic ridge regression analysis of toxicogenomic data: The mode of action and predictive models | Toxicology and applied pharmacology |
26259608 | 20151101 | Bridging Functional and Structural Cardiotoxicity Assays Using Human Embryonic Stem Cell-Derived Cardiomyocytes for a More Comprehensive Risk Assessment | Toxicological sciences : an official journal of the Society of Toxicology |
24052561 | 20131201 | Refining the human iPSC-cardiomyocyte arrhythmic risk assessment model | Toxicological sciences : an official journal of the Society of Toxicology |
22985507 | 20121018 | Spinal blockades of class I antiarrythmic drugs with bupivacaine by isobolographic analysis in rats | Neuroscience letters |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.1076919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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