Benomyl
fo-735ceca1d9f59226
Identity
- Type
- Neutral molecule
- CAS
- 17804-35-2
- EC
- 241-775-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| acaricide CHEBI:22153 | A substance used to destroy pests of the subclass Acari (mites and ticks). | ChEBI |
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
34- 1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat
- 1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester
- 1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol
- 2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester
- Agrocit
- BBC
- Benfungin
- Benfungin WP
- Benlate
- Benlate 50
- Benlate 50W
- Benlate 50WP
- Benlate WP
- Benomil
- Benomyl-Imex
- Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester
- Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester
- Du Pont 1991
- Fundazol
- Fundazol 50WP
- Fungicide D-1991
- Fungochrom
- Kribenomyl
- Marvel
- MeSH ID: D001542
- Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate
- Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate
- Methyl 1-(butylcarbamoyl)-2-benzimidazolylcarbamate
- methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
- Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate
- Minelate 50WG
- Safomyl
- Uzgen
- Zetamil
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RIOXQFHNBCKOKP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20) |
| IUPAC name chemrof:IUPAC_name | 1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester |
| Molecular formula chemrof:molecular_formula | C14H18N4O3 |
| Molecular mass chemrof:molecular_mass | 290.323 |
| Monoisotopic mass chemrof:monoisotopic_mass | 290.13789 |
| SMILES string chemrof:smiles_string | CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21 |
Known URLs
31Where 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=17804-35-2 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/DD62CCF8.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3015 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.037.962 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0382 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5023900 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=263489 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL327919 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TLW21058F5 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031767 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.865A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C10896 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C10896 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45086 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:benomyl | enrich_references.chebi_xrefs |
| ppdb | ppdb:66 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/28780 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2757 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3077 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007896 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15813220 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16903866 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19049291 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24693254 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24782104 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25045800 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25104429 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25145128 | enrich_references.chebi_xrefs |
| reaxys | reaxys:825455 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q420172 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benomyl | enrich_references.chebi_xrefs |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4c8d46-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9790-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e68211ab-f286-41a3-a2c4-77dfd219b671 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-978f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a9ed-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-978e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-978c-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a9f1-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f674b408477dad57d7f05f19003884a5a3dcf26c | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-978d-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a9ef-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a9f2-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 22b929f9710a18c315774bb1a2248297652d52ac | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a9ee-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 453554b4b046d21a92782114732fee46a34ba7b3 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a9f0-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
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{
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},
{
"@value": "Benomil",
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},
{
"@value": "Benomyl-Imex",
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{
"@value": "Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester",
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{
"@value": "Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester",
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{
"@value": "Du Pont 1991",
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},
{
"@value": "Fundazol",
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},
{
"@value": "Fundazol 50WP",
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},
{
"@value": "Fungicide D-1991",
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},
{
"@value": "Fungochrom",
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},
{
"@value": "Kribenomyl",
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{
"@value": "Marvel",
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},
{
"@value": "MeSH ID: D001542",
"@language": "en",
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},
{
"@value": "Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate",
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},
{
"@value": "Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate",
"@language": "en",
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},
{
"@value": "Methyl 1-(butylcarbamoyl)-2-benzimidazolylcarbamate",
"@language": "en",
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}
},
{
"@value": "methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate",
"@language": "en",
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},
{
"@value": "Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate",
"@language": "en",
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"provenance": {
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},
{
"@value": "Minelate 50WG",
"@language": "en",
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}
},
{
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"https://echa.europa.eu/search-for-chemicals?query=241-775-7"
],
"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,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_3015"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_22153",
"rdfs:label": "acaricide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy pests of the subclass <em>Acari</em> (mites and ticks).",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
"rdfs:label": "fungicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}
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