Difenoxuron
fo-92f30d417c727e0e
Identity
- Type
- Neutral molecule
- CAS
- 14214-32-5
- EC
- 238-068-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
5- Diphenoxuron
- Lironion
- N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea
- Urea, 3-[p-(p-methoxyphenoxy)phenyl]-1,1-dimethyl-
- Urea, N′-[4-(4-methoxyphenoxy)phenyl]-N,N-dimethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AMVYOVYGIJXTQB-UHFFFAOYSA-N, YJVUGZMEFMKALF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19) |
| IUPAC name chemrof:IUPAC_name | N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea |
| Molecular formula chemrof:molecular_formula | C16H18N2O3 |
| SMILES string chemrof:smiles_string | COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1 |
Known URLs
3Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=14214-32-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82201 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C19076 | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0d887803-5c7b-4ff2-93ab-593d39dc7cb0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6da6cc4e-51c2-45ee-a84c-5d2efc923585 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7cccb9b2-4c89-4117-be86-049e140594b8 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f1735882-01ce-4e03-b6c9-1350d6ea5a77 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 819750dd-c1db-4c1a-b175-92f1aff9d952 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ffeb120c-e703-4c0a-83ca-6aad4c3c1011 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 377f824b-9839-4e3e-b752-c99187d5ca65 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 9b67704a-c04b-4eee-ae78-bb5cbfb928f3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5a416dbb1211ea1818dc57d2c4b14cc7d80aaca3 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 63b5d3f3-6d50-41b2-97b0-b6b386925f70 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d5874060-09d5-4565-bc15-897b5086c1e8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 20d19a44-0361-4d6c-a3f3-db231038035c | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 974f0d68-b828-4e99-ae4b-7dd26d19aef4 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 9c05e8c2-12ac-400b-800b-1bf25b9a4ac3 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-92f30d417c727e0e",
"prefLabel": [
{
"@value": "Difenoxuron",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Diphenoxuron",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14214-32-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lironion",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14214-32-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14214-32-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Urea, 3-[p-(p-methoxyphenoxy)phenyl]-1,1-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14214-32-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Urea, N′-[4-(4-methoxyphenoxy)phenyl]-N,N-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14214-32-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H18N2O3"
],
"attested_by": {
"C16H18N2O3": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82201"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1"
]
}
],
"attested_by": {
"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1"
]
}
],
"attested_by": {
"InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"AMVYOVYGIJXTQB-UHFFFAOYSA-N",
"YJVUGZMEFMKALF-UHFFFAOYSA-N"
],
"attested_by": {
"YJVUGZMEFMKALF-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic"
],
"AMVYOVYGIJXTQB-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82201"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82201"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea"
]
},
"attested_by": {
"N′-[4-(4-Methoxyphenoxy)phenyl]-N,N-dimethylurea": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=14214-32-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82201"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82201",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82201"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.genome.jp/entry/C19076",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_82201"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0d887803-5c7b-4ff2-93ab-593d39dc7cb0",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"14214-32-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=14214-32-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"238-068-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=238-068-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works