Exact Mass: 162.1156924
Exact Mass Matches: 162.1156924
Found 159 metabolites which its exact mass value is equals to given mass value 162.1156924,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Nicotine
Nicotine is an alkaloid found in the nightshade family of plants (Solanaceae), predominantly in tobacco and in lower quantities in tomato, potato, eggplant (aubergine), and green pepper. Nicotine alkaloids are also found in the leaves of the coca plant. Nicotine constitutes 0.3 to 5\\\% of the tobacco plant by dry weight, with biosynthesis taking place in the root and accumulation in the leaves. It is a potent neurotoxin with particular specificity to insects; therefore nicotine was widely used as an insecticide in the past and nicotine derivatives such as imidacloprid continue to be widely used. It has been noted that the majority of people diagnosed with schizophrenia smoke tobacco. Estimates for the number of schizophrenics that smoke range from 75\\\% to 90\\\%. It was recently argued that the increased level of smoking in schizophrenia may be due to a desire to self-medicate with nicotine. More recent research has found the reverse: it is a risk factor without long-term benefit, used only for its short-term effects. However, research on nicotine as administered through a patch or gum is ongoing. As nicotine enters the body, it is distributed quickly through the bloodstream and can cross the blood-brain barrier. On average, it takes about seven seconds for the substance to reach the brain. The half-life of nicotine in the body is around 2 hours. The amount of nicotine inhaled with tobacco smoke is a fraction of the amount contained in the tobacco leaves (most of the substance is destroyed by the heat). The amount of nicotine absorbed by the body from smoking depends on many factors, including the type of tobacco, whether the smoke is inhaled, and whether a filter is used. For chewing tobacco, often called dip, snuff, or sinus, which is held in the mouth between the lip and gum, the amount released into the body tends to be much greater than smoked tobacco. The currently available literature indicates that nicotine, on its own, does not promote the development of cancer in healthy tissue and has no mutagenic properties. Its teratogenic properties have not yet been adequately researched, and while the likelihood of birth defects caused by nicotine is believed to be very small or nonexistent, nicotine replacement product manufacturers recommend consultation with a physician before using a nicotine patch or nicotine gum while pregnant or nursing. However, nicotine and the increased acetylcholinic activity it causes have been shown to impede apoptosis, which is one of the methods by which the body destroys unwanted cells (programmed cell death). Since apoptosis helps to remove mutated or damaged cells that may eventually become cancerous, the inhibitory actions of nicotine create a more favourable environment for cancer to develop. Thus, nicotine plays an indirect role in carcinogenesis. It is also important to note that its addictive properties are often the primary motivating factor for tobacco smoking, contributing to the proliferation of cancer. Nicotine is a highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke. Nicotine is a hygroscopic, oily liquid that is miscible with water in its base form. As a nitrogenous base, nicotine forms salts with acids that are usually solid and water soluble. Nicotine easily penetrates the skin. As shown by the physical data, free base nicotine will burn at a temperature below its boiling point, and its vapours will combust at 95 °C in the air despite a low vapour pressure. Because of this, most nicotine is burned when a cigarette is smoked; however, enough is inhaled to provide the desired effects. Nicotine is a stimulant drug that acts as an agonist at nicotinic acetylcholine receptors. These are ionotropic receptors composed of five homomeric or heteromeric subunits. In the brain, nicotine binds to nic... Nicotine appears as a colorless to light yellow or brown liquid. Combustible. Toxic by inhalation and by skin absorption. Produces toxic oxides of nitrogen during combustion. (S)-nicotine is a 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. It has a role as a phytogenic insecticide, a teratogenic agent, a neurotoxin, an anxiolytic drug, a nicotinic acetylcholine receptor agonist, a biomarker, an immunomodulator, a mitogen, a peripheral nervous system drug, a psychotropic drug, a plant metabolite and a xenobiotic. It is a conjugate base of a (S)-nicotinium(1+). It is an enantiomer of a (R)-nicotine. Nicotine is highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke. Nicotine is a Cholinergic Nicotinic Agonist. Nicotine is a natural alkyloid that is a major component of cigarettes and is used therapeutically to help with smoking cessation. Nicotine has not been associated with liver test abnormalities or with clinically apparent hepatotoxicity. Nicotine is a natural product found in Cyphanthera tasmanica, Nicotiana cavicola, and other organisms with data available. Nicotine is a plant alkaloid, found in the tobacco plant, and addictive central nervous system (CNS) stimulant that causes either ganglionic stimulation in low doses or ganglionic blockage in high doses. Nicotine acts as an agonist at the nicotinic cholinergic receptors in the autonomic ganglia, at neuromuscular junctions, and in the adrenal medulla and the brain. Nicotines CNS-stimulating activities may be mediated through the release of several neurotransmitters, including acetylcholine, beta-endorphin, dopamine, norepinephrine, serotonin, and ACTH. As a result, peripheral vasoconstriction, tachycardia, and elevated blood pressure may be observed with nicotine intake. This agent may also stimulate the chemoreceptor trigger zone, thereby inducing nausea and vomiting. Nicotine is highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke. See also: Tobacco Leaf (part of); Nicotine Polacrilex (related); Menthol; nicotine (component of) ... View More ... Alkaloid from Nicotiana tabacum and other Nicotiana subspecies, Asclepias syriaca, Lycopodium subspecies, and other subspecies (Solanaceae, Asclepiadaceae, Crassulaceae). Rare spread of occurrence between angiosperms and cryptogametes (CCD) A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.
Anabasine
Anabasine is a pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. It has a role as a plant metabolite, a teratogenic agent and a nicotinic acetylcholine receptor agonist. It is a piperidine alkaloid and a pyridine alkaloid. Anabasine is a natural product found in Nicotiana, Nicotiana tabacum, and Anabasis aphylla with data available. Anabasine is a nicotine analog that is an alkaloid found in tree tobacco (Nicotiana glauca) and is comprised of a pyridine substituted by a piperidin-2-yl group at position 3. Anabasine has been used as an industrial insecticide and, since it is present in trace amounts in tobacco smoke, its detection in urine can be used as an indicator of exposure to tobacco smoke. Anabasine is a nicotinic receptor agonist toxin and Cholinesterase inhibitor which acts upon the nicotinic acetylcholine receptors. Anabasine is an unstable yellow liquid which is succeptable to light, heat and moisture. Its decomposition products include Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases and carbon dioxide. Anabasine is a pyridine alkaloid found in the stem of the (Nicotiana glauca) plant, a close relative of (Nicotiana tabacum) the common tobacco plant. Anabasine is a metabolite of nicotine which can be used as an indicator of a persons exposure to tobbacco smoke. A piperidine botanical insecticide. A piperidine botanical insecticide. Anabasine is a pyridine and piperidine alkaloid found in the Tree Tobacco (Nicotiana glauca) plant, a close relative of the common tobacco plant (Nicotiana tabacum). It is a structural isomer of, and chemically similar to, nicotine. Its principal (historical) industrial use is as an insecticide. Anabasine is a nicotinic receptor agonist toxin and Cholinesterase inhibitor which acts upon the nicotinic acetylcholine receptors. Anabasine is an unstable yellow liquid which is succeptable to light, heat and moisture. Its decomposition products include Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases and carbon dioxide. Anabasine is a nicotinic receptor agonist toxin and Cholinesterase inhibitor which acts upon the nicotinic acetylcholine receptors. A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals (±) Anabasine is a biphasic muscle relaxant. (±) Anabasine is a biphasic muscle relaxant. Anabasine ((S)-Anabasine) is an alkaloid that found as a minor component in tobacco (Nicotiana). Anabasine is a botanical?pesticide?nicotine, acts as a full agonist of nicotinic acetylcholine receptors (nAChRs). Anabasine induces depolarization of TE671 cells endogenously expressing human fetal muscle-type nAChRs (EC50=0.7 μM)[1][2]. Anabasine ((S)-Anabasine) is an alkaloid that found as a minor component in tobacco (Nicotiana). Anabasine is a botanical?pesticide?nicotine, acts as a full agonist of nicotinic acetylcholine receptors (nAChRs). Anabasine induces depolarization of TE671 cells endogenously expressing human fetal muscle-type nAChRs (EC50=0.7 μM)[1][2].
(+)-Nicotine
Chemical Structure of (+)-Nicotine: (+)-Nicotine, also known as d-nicotine, has a complex chemical structure that consists of a pyridine ring with a methyl group at position 3 and a pyrrolidine ring at position 2. The molecular formula of nicotine is C10H14N2. The presence of a nitrogen-containing pyridine ring and a pyrrolidine ring makes nicotine a type of alkaloid. The (+) sign indicates that this is the dextrorotatory isomer, meaning it rotates plane-polarized light to the right. The chemical structure can be described as follows: A six-membered pyridine ring, which is a nitrogen-containing aromatic heterocycle. A methyl group (-CH3) attached to the pyridine ring at the 3-position. A five-membered pyrrolidine ring, which is a saturated nitrogen-containing heterocycle, fused to the pyridine ring at the 2-position. The pyrrolidine ring contains a secondary amine group (-NH-), which is part of the ring structure. Biological Functions of (+)-Nicotine: Neurotransmitter Mimic: (+)-Nicotine acts as an agonist at nicotinic acetylcholine receptors (nAChRs), which are ligand-gated ion channels found in both the central and peripheral nervous systems. By binding to these receptors, nicotine mimics the action of the neurotransmitter acetylcholine, leading to the release of various neurotransmitters and hormones. Central Nervous System Stimulation: When (+)-nicotine binds to nAChRs in the brain, it can increase the release of dopamine, a neurotransmitter associated with reward and pleasure. This effect contributes to the addictive properties of nicotine. Cardiovascular Effects: (+)-Nicotine can have various effects on the cardiovascular system, including increasing heart rate and blood pressure due to the stimulation of nAChRs on adrenergic neurons, which leads to the release of catecholamines (e.g., adrenaline). Metabolic Effects: Nicotine can increase metabolic rate and decrease appetite, which can lead to weight loss in some individuals. Insecticide: (+)-Nicotine has insecticidal properties and has been used historically as a pesticide. It acts by binding to nAChRs in insects, causing paralysis and death. Therapeutic Uses: (+)-Nicotine is used in nicotine replacement therapies (NRT), such as patches, gum, lozenges, and inhalers, to help smokers reduce withdrawal symptoms and quit smoking. It is also being investigated for its potential therapeutic effects in neurological disorders like Alzheimer’s disease and Parkinson’s disease. Toxicity: At high doses, (+)-nicotine can be toxic, leading to nausea, vomiting, dizziness, and in severe cases, respiratory failure and death due to its paralytic effects on the respiratory center. (+)-Nicotine, also known as nikotin or L-nicotine, belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring (+)-Nicotine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on (+)-Nicotine. This compound has been identified in human blood as reported by (PMID: 31557052 ). (+)-nicotine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (+)-Nicotine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
DL-Carnitine
(±)-Carnitine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=406-76-8 (retrieved 2024-07-09) (CAS RN: 406-76-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Anabasine
D010575 - Pesticides > D007306 - Insecticides The (S)-enantiomer of anabasine. D016573 - Agrochemicals CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 KEIO_ID A068 Anabasine ((S)-Anabasine) is an alkaloid that found as a minor component in tobacco (Nicotiana). Anabasine is a botanical?pesticide?nicotine, acts as a full agonist of nicotinic acetylcholine receptors (nAChRs). Anabasine induces depolarization of TE671 cells endogenously expressing human fetal muscle-type nAChRs (EC50=0.7 μM)[1][2]. Anabasine ((S)-Anabasine) is an alkaloid that found as a minor component in tobacco (Nicotiana). Anabasine is a botanical?pesticide?nicotine, acts as a full agonist of nicotinic acetylcholine receptors (nAChRs). Anabasine induces depolarization of TE671 cells endogenously expressing human fetal muscle-type nAChRs (EC50=0.7 μM)[1][2].
(3R,7R)-1,3,7-Octanetriol
(3R,7S)-1,3,7-Octanetriol is found in pomes. (3R,7S)-1,3,7-Octanetriol is a constituent of apples. Constituent of apples. (3R,7R)-1,3,7-Octanetriol is found in pomes.
(S1)-Methoxy-3-heptanethiol
(S1)-Methoxy-3-heptanethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Trimethyl-2-propenylpyrazine
Trimethyl-2-propenylpyrazine is found in tea. Trimethyl-2-propenylpyrazine is a constituent of roasted green tea aroma. Constituent of roasted green tea aroma. Trimethyl-2-propenylpyrazine is found in tea.
(S)-carnitinium
(S)-carnitinium is considered to be slightly soluble (in water) and acidic
1-Phenylpiperazine
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs
3-(2-Hydroxy-1-methyl-2-nitrosohydrazino)-N-methyl-1-propanamine
Nicotine
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 3008 D000077444 - Smoking Cessation Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-(2,4-Dimethylphenyl)-N-methylimidoformamide
CONFIDENCE standard compound; INTERNAL_ID 2019
1-PHENYLPIPERAZINE
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs
N-(2,4-Dimethylphenyl)-N-methylformamidine
A member of the class of formamidines that is N-methylimidoformamide in which the hydrogen attached to the nitrogen atom has been replaced by a 2,4-dimethylphenyl group. It is a metabolite of the insecticide amitraz. CONFIDENCE standard compound; EAWAG_UCHEM_ID 331
2-(2-Butoxyethoxy)ethanol
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 6 INTERNAL_ID 6; CONFIDENCE Reference Standard (Level 1)
Nicotine
An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. It has been isolated from Nicotiana tabacum. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000077444 - Smoking Cessation Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2264 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053
(S)-Nicotine
Nicotine, also known as (S)-3-(1-methylpyrrolidin-2-yl)pyridine or (-)-nicotine, is a member of the class of compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. Nicotine is soluble (in water) and a very strong basic compound (based on its pKa). Nicotine is a bitter tasting compound and can be found in a number of food items such as mexican oregano, shea tree, pepper (capsicum), and black salsify, which makes nicotine a potential biomarker for the consumption of these food products. Nicotine can be found primarily in blood, saliva, and urine, as well as throughout most human tissues. In humans, nicotine is involved in the nicotine action pathway. Moreover, nicotine is found to be associated with smoking. Nicotine is a drug which is used for the relief of nicotine withdrawal symptoms and as an aid to smoking cessation. Beyond addiction, both short and long-term nicotine exposure have not been established as dangerous to adults, except among certain vulnerable groups. At high-enough doses, nicotine is associated with poisonings and is potentially lethal. Nicotine as a tool for quitting smoking has a good safety history. There is inadequate research to show that nicotine itself is associated with cancer in humans. Nicotine in the form of nicotine replacement products is less of a cancer risk than smoking. Nicotine is linked to possible birth defects. During pregnancy, there are risks to the child later in life for type 2 diabetes, obesity, hypertension, neurobehavioral defects, respiratory dysfunction, and infertility. The use of electronic cigarettes, which are designed to be refilled with nicotine-containing e-liquid, has raised concerns over nicotine overdoses, especially with regard to the possibility of young children ingesting the liquids . Symptoms of overdose include nausea, abdominal pain, vomiting, diarrhea, diaphoresis, flushing, dizziness, disturbed hearing and vision, confusion, weakness, palpitations, altered respiration and hypotension. LD50= 24 mg/kg (orally in mice) (DrugBank).
(1,2,3,4-TETRAHYDRO-[1,6]NAPHTHYRIDIN-8-YL)-METHYLAMINE
6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridin-3-amine
(S)-(2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPIN-5-YL)AMINE
(R)-(2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPIN-5-YL)AMINE
2-[tris(trideuteriomethyl)azaniumyl]acetate,hydrochloride
Rivanicline
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
3-5,6,7,8-TETRAHYDROQUINOLYLMETHYLAMINE HYDROCHLORIDE
NOC-7
D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors
9-Methyl-2,3,4,5-tetrahydro-1hbenzo[e][1,4]diazepine
7-Methyl-2,3,4,5-tetrahydro-1hbenzo[e][1,4]diazepine
1H-Benzimidazole,2,3-dihydro-2-(1-methylethyl)-(9CI)
(3-Carboxy-2-(R)-hydroxy-propyl)-trimethyl-ammonium
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
(R)-3-(Piperidin-2-YL)pyridine
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
[(2R)-3-carboxy-2-hydroxypropyl]-tris(trideuteriomethyl)azanium
(±)-nicotine
An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2.
(R)-nicotine
A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration.
1-(2-Butoxyethoxy)ethanol
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