Ethametsulfuron

Flow Object ID fo-cde757aaaa870ac9

Type Consensus

prefLabel

Label	Language
`Ethametsulfuron`	en

Alt Labels

Label	Language	Provenance
`1-[(2-carboxyphenyl)sulfonyl]-3-[4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl]urea`	en	—
`2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid`	en	—
`2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid`	en	—

Definitions

Language	Value	Provenance
`en`	An N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group.

CAS Numbers 111353-84-5

Changes Applied 13

Properties

Predicate	Value
Formal charge	`0`
InChIKey	`IRLGCAJYYKDTCG-UHFFFAOYSA-N`
InChI	`InChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)`
IUPAC name	`2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid, 2-[[4-ethoxy-6-(methylamino)-s-triazin-2-yl]carbamoylsulfamoyl]benzoic acid, 2-[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid`
Molecular formula	`C14H16N6O6S`
Molecular mass	`396.385`
Monoisotopic mass	`396.0852`
SMILES	`CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC, CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1`

References

agr:IND43718179
agr:IND601309389
http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J646.757A
https://chem.echa.europa.eu/100.229.323
https://commonchemistry.cas.org/detail?cas_rn=111353-84-5
https://comptox.epa.gov/dashboard/DTXSID90869542
https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TYY89AZD3V
https://pubchem.ncbi.nlm.nih.gov/compound/86304
https://pubmed.ncbi.nlm.nih.gov/20116796
https://pubmed.ncbi.nlm.nih.gov/20574870
https://pubmed.ncbi.nlm.nih.gov/22375586
https://pubmed.ncbi.nlm.nih.gov/30136538
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:145551
https://www.wikidata.org/wiki/Q27290487
pesticides:ethametsulfuron
reaxys:8797661

Linked Elementary Flows

UUID	Source	Unit	Context	LCIA Factors	Consensus Changes
`4b58f30d…`	EF 3.1	kg	Environmental → Air → Aircraft cruise height	2	1
`92a0e9c8…`	EF 3.1	kg	Environmental → Air → Ground level → Rural (<1000 people/square mile)	0	1
`2d62aea3…`	EF 3.1	kg	Environmental → Air → Ground level → Urban (>1000 people/square mile)	2	1
`0d28b63e…`	EF 3.1	kg	Environmental → Air → High stack, >150 meters	2	1
`2d2133e9…`	EF 3.1	kg	Environmental → Air → Unknown	2	1
`504e611f…`	EF 3.1	kg	Environmental → Air → Unknown	2	1
`d2ddcb8f…`	EF 3.1	kg	Environmental → Ground → Agricultural	2	1
`5d3574f8…`	EF 3.1	kg	Environmental → Ground → Unknown	2	1
`3d63faa8…`	EF 3.1	kg	Environmental → Water → Ocean	2	1
`6d57fa21…`	EF 3.1	kg	Environmental → Water → Surface water	2	1
`c5e0c8ee…`	EF 3.1	kg	Environmental → Water → Unknown	2	1

▶

Changes Applied

Elementary Flow	Field	Old Value	New Value	Comment
`0d28b63e…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`2d2133e9…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`2d62aea3…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`3d63faa8…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`4b58f30d…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`504e611f…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`5d3574f8…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`6d57fa21…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`73ea23af…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`92a0e9c8…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`c2da1c39…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`c5e0c8ee…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}
`d2ddcb8f…`	`cas_match_labels`	`—`	`{"111353-84-5":"exactMatch"}`	group_key=ethametsulfuron\|\|dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'pubchem']; cas_sources={'111353-84-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cde757aaaa870ac9: {'111353-84-5': 'exactMatch'}

Flow Object JSON

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