CHEBI:38508 - methiocarb

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ChEBI Name methiocarb
ChEBI ID CHEBI:38508
Definition A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2724915, eMolecules:509860, ZINC000000097471
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Venlafaxine, sold under the brand name Effexor among others, is an antidepressant medication of the serotonin–norepinephrine reuptake inhibitor (SNRI) class. It is used to treat major depressive disorder, generalized anxiety disorder, panic disorder, and social anxiety disorder. Studies have shown that venlafaxine improves post-traumatic stress disorder (PTSD). It may also be used for chronic neuropathic pain. It is taken orally (swallowed by mouth). It is also available as the salt venlafaxine besylate (venlafaxine benzenesulfonate monohydrate) in an extended-release formulation (Venbysi XR). Common side effects include loss of appetite, constipation, dry mouth, dizziness, sweating, insomnia, drowsiness and sexual problems. Severe side effects include an increased risk of suicide, mania, and serotonin syndrome. Antidepressant withdrawal syndrome may occur if stopped. There are concerns that use during the later part of pregnancy can harm the baby. How it works is not entirely clear, but it seems to be related to the potentiation of the activity of some neurotransmitters in the brain. Venlafaxine was approved for medical use in the United States in 1993. It is available as a generic medication. In 2022, it was the 44th most commonly prescribed medication in the United States, with more than 13 million prescriptions.
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Formulae C11H15NO2S
C11H15NO2S
Net Charge 0
Average Mass 225.310
Monoisotopic Mass 225.08235
InChI InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
InChIKey YFBPRJGDJKVWAH-UHFFFAOYSA-N
SMILES CNC(=O)OC1=CC(C)=C(SC)C(C)=C1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): EC 3.1.1.7 (acetylcholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): molluscicide
A substance used to destroy pests of the phylum Mollusca.
acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
avicide
A substance used to destroy bird pests (class Aves).
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ChEBI Ontology
Outgoing methiocarb (CHEBI:38508) has functional parent 3,5-dimethyl-4-(methylsulfanyl)phenol (CHEBI:38509)
methiocarb (CHEBI:38508) has functional parent methylcarbamic acid (CHEBI:45379)
methiocarb (CHEBI:38508) has role acaricide (CHEBI:22153)
methiocarb (CHEBI:38508) has role agrochemical (CHEBI:33286)
methiocarb (CHEBI:38508) has role avicide (CHEBI:33289)
methiocarb (CHEBI:38508) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
methiocarb (CHEBI:38508) has role environmental contaminant (CHEBI:78298)
methiocarb (CHEBI:38508) has role insecticide (CHEBI:24852)
methiocarb (CHEBI:38508) has role molluscicide (CHEBI:33904)
methiocarb (CHEBI:38508) has role xenobiotic (CHEBI:35703)
methiocarb (CHEBI:38508) is a aryl sulfide (CHEBI:35683)
methiocarb (CHEBI:38508) is a carbamate ester (CHEBI:23003)
methiocarb (CHEBI:38508) is a methyl sulfide (CHEBI:86315)
IUPAC Name
3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate
Synonyms Sources
3,5-Dimethyl-4-(methylthio)phenol methylcarbamate ChemIDplus
3,5-Dimethyl-4-(methylthio)phenyl methylcarbamate ChemIDplus
3,5-Dimethyl-4-methylthiophenyl N-methylcarbamate ChemIDplus
4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamate ChemIDplus
4-Methylmercapto-3,5-xylyl methylcarbamate ChemIDplus
4-Methylthio-3,5-dimethylphenyl methylcarbamate ChemIDplus
4-Methylthio-3,5-xylyl methylcarbamate NIST Chemistry WebBook
mesurol ChEBI
Manual Xrefs Databases
457 PPDB
C18651 KEGG COMPOUND
methiocarb Alan Wood's Pesticides
Methiocarb Wikipedia
View more database links
Registry Numbers Types Sources
1881431 Reaxys Registry Number Reaxys
2032-65-7 CAS Registry Number NIST Chemistry WebBook
2032-65-7 CAS Registry Number ChemIDplus
Citations Types Sources
19270930 PubMed citation Europe PMC
22623520 PubMed citation Europe PMC
24380738 PubMed citation Europe PMC
9197969 PubMed citation Europe PMC
Last Modified
19 July 2023
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag