(S)-(-)-Mexiletine (CED0004740)

Record Information

Version

1.0

Creation Date

2026-04-06 09:08:50 UTC

Update Date

2026-05-21 09:17:50 UTC

SynCED ID

CED0004740

Secondary Accession Numbers

CHEM121199

Identification

Common Name

(S)-(-)-Mexiletine

Class

Small Molecule

Description

(S)-(-)-Mexiletine belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Further sources include the food, food processing and cookware sector via food packaging, and the healthcare, pharmaceuticals and veterinary products sector through medical devices. Additionally, the compound is found in lubricants within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one other sector. Recorded exposure routes for (S)-(-)-Mexiletine include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

Not Available

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

94991-72-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m0/s1

InChI Key

VLPIATFUUWWMKC-JTQLQIEISA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 1.0 Statistical Significance 0.0063 Supporting Reference Compounds 686 E-value 49.2007
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.395 Applicability Domain 1.0 Statistical Significance 0.032 Supporting Reference Compounds 1498 E-value 249.118
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 1.0 Statistical Significance 0.0072 Supporting Reference Compounds 139 E-value 56.285
Click to view 3D structure	Potassium channel subfamily K member 2	O95069	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 1.0 Statistical Significance 1.20e-04 Supporting Reference Compounds 21 E-value 0.934191
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.387 Statistical Significance 0.0091 Supporting Reference Compounds 203 E-value 70.9985
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.387 Statistical Significance 0.0159 Supporting Reference Compounds 297 E-value 123.469
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.361 Statistical Significance 0.0028 Supporting Reference Compounds 66 E-value 21.9535
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.33 Applicability Domain 0.387 Statistical Significance 0.0141 Supporting Reference Compounds 185 E-value 110.001
Click to view 3D structure	Trace amine-associated receptor 1	Q8HZ64	Macaca mulatta	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.387 Statistical Significance 1.70e-04 Supporting Reference Compounds 8 E-value 1.32344
Click to view 3D structure	Sodium channel protein type 9 subunit alpha	Q15858	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 1.0 Statistical Significance 0.0175 Supporting Reference Compounds 125 E-value 135.925
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.387 Statistical Significance 0.0019 Supporting Reference Compounds 40 E-value 14.8692
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.387 Statistical Significance 0.0026 Supporting Reference Compounds 63 E-value 20.0072
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.387 Statistical Significance 0.0274 Supporting Reference Compounds 451 E-value 213.307
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.387 Statistical Significance 0.0315 Supporting Reference Compounds 506 E-value 245.069
Click to view 3D structure	Sodium channel protein type 2 subunit alpha	Q99250	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 1.0 Statistical Significance 0.0092 Supporting Reference Compounds 63 E-value 71.4656
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.387 Statistical Significance 0.0465 Supporting Reference Compounds 593 E-value 362.388
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.324 Statistical Significance 0.0859 Supporting Reference Compounds 955 E-value 669.114
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.387 Statistical Significance 0.0427 Supporting Reference Compounds 380 E-value 332.183
Click to view 3D structure	Norepinephrine transporter	Q9WTR4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.324 Statistical Significance 0.015 Supporting Reference Compounds 112 E-value 117.163
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.324 Statistical Significance 0.1118 Supporting Reference Compounds 823 E-value 870.121
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.308 Statistical Significance 0.087 Supporting Reference Compounds 541 E-value 677.288
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.308 Statistical Significance 0.0372 Supporting Reference Compounds 154 E-value 289.91
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.286 Low confidence Statistical Significance 0.0968 Supporting Reference Compounds 487 E-value 753.503
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.3 Statistical Significance 0.1153 Supporting Reference Compounds 565 E-value 897.602
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.289 Low confidence Statistical Significance 0.0048 Supporting Reference Compounds 48 E-value 37.4455