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Tribenuron

Flow Object IDfo-0f4fd2f8d7e38e15
TypeConsensus
prefLabel
Label Language
Tribenuron en
Alt Labels
Label Language Provenance
2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid en —
2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]benzoic acid en —
Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]- en —
Definitions
Language Value Provenance
en An N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant.
CAS Numbers106040-48-6
Changes Applied2

Properties

Predicate Value
Formal charge 0
InChIKey BQZXUHDXIARLEO-UHFFFAOYSA-N
InChI InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)
IUPAC name 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoic acid, 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoic acid, 2-[[(4-methoxy-6-methyl-s-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoic acid, 2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylamino]-oxomethyl]sulfamoyl]benzoic acid
Molecular formula C14H15N5O6S
Molecular mass 381.37
Monoisotopic mass 381.0743
SMILES CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O, COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
901bc9e4… ecoinvent algorithm addition kg Environmental → Air 0 0
cb969920… EF 3.1 kg Environmental → Ground → Agricultural 0 2
858eeb78… ecoinvent algorithm addition kg Environmental → Water → Surface water 0 0
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
cb969920… altLabel [{"@value":"2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid","http://purl.obolibrary.org/obo/CHEBI_83571","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid","http://purl.obolibrary.org/obo/CHEBI_83571","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:106040-48-6","https://commonchemistry.cas.org/detail?cas_rn=106040-48-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:106040-48-6","https://commonchemistry.cas.org/detail?cas_rn=106040-48-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tribenuron||dimension=Environmental > media=Ground > geography=Agricultural; cas=106040-48-6; added Common Chemistry CAS names as altLabel: 2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]benzoic acid, Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-; object_uuid=fo-0f4fd2f8d7e38e15
cb969920… cas_match_labels — {"106040-48-6":"exactMatch"} group_key=tribenuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'106040-48-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0f4fd2f8d7e38e15: {'106040-48-6': 'exactMatch'}

Flow Object JSON

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