CHEBI:39678 - metsulfuron methyl

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ChEBI Name metsulfuron methyl
ChEBI ID CHEBI:39678
Definition A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6910
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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Formula C14H15N5O6S
Net Charge 0
Average Mass 381.36400
Monoisotopic Mass 381.07430
InChI InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
InChIKey RSMUVYRMZCOLBH-UHFFFAOYSA-N
SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing metsulfuron methyl (CHEBI:39678) has role environmental contaminant (CHEBI:78298)
metsulfuron methyl (CHEBI:39678) has role herbicide (CHEBI:24527)
metsulfuron methyl (CHEBI:39678) has role xenobiotic (CHEBI:35703)
metsulfuron methyl (CHEBI:39678) is a N-sulfonylurea (CHEBI:76983)
metsulfuron methyl (CHEBI:39678) is a benzoate ester (CHEBI:36054)
metsulfuron methyl (CHEBI:39678) is a methoxy-1,3,5-triazine (CHEBI:38177)
IUPAC Name
methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate
Synonyms Sources
Metsulfuron methyl KEGG COMPOUND
Metsulfuron methyl ester ChemIDplus
metsulfuron-methyl ChEBI
Manual Xrefs Databases
1MM PDBeChem
470 PPDB
C10946 KEGG COMPOUND
metsulfuron-methyl Alan Wood's Pesticides
Metsulfuron-methyl Wikipedia
View more database links
Registry Numbers Types Sources
587472 Reaxys Registry Number Reaxys
74223-64-6 CAS Registry Number KEGG COMPOUND
74223-64-6 CAS Registry Number ChemIDplus
Citations Types Sources
21036398 PubMed citation Europe PMC
23348034 PubMed citation Europe PMC
23972318 PubMed citation Europe PMC
Last Modified
14 March 2024
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag