Benzocaine
fo-0d154077f66bf670
Identity
- Type
- Neutral molecule
- CAS
- 94-09-7
- EC
- 202-303-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
50- (p-(Ethoxycarbonyl)phenylamine
- 4-(Ethoxycarbonyl)aniline
- 4-(Ethoxycarbonyl)phenylamine
- 4-aminobenzoic acid ethyl ester
- 4-Carbethoxyaniline
- Aethoform
- Amben ethyl ester
- Americaine
- Anacaine
- Anaesthan-syngala
- Anaesthesin
- Anaesthin
- Anbesol
- Anestezin
- Anesthesin
- Anesthesine
- Anesthone
- Baby Anbesol
- Benzoak
- Benzocaina
- Benzocainum
- Benzoic acid, 4-amino-, ethyl ester
- Benzoic acid, p-amino-, ethyl ester
- Chiggerex
- Diet Ayds
- Et-PABA
- Ethoform
- ethyl 4-aminobenzoate
- Ethyl aminobenzoate
- Ethyl p-aminobenzenecarboxylate
- Ethyl p-aminobenzoate
- Ethyl p-aminophenylcarboxylate
- Gingicaine
- Identhesin
- Keloform
- Lanacane
- MeSH ID: D001566
- Norcain
- Norcaine
- Ora-jel
- Orabase-B
- Orthesin
- p-(Ethoxycarbonyl)aniline
- p-Aminobenzoic acid ethyl ester
- p-Carbethoxyaniline
- p-Ethoxycarboxylic aniline
- Parathesin
- Parathesine
- Slim Mint Gum
- Solu H
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 4-aminobenzoic acid ethyl ester |
| Molecular formula chemrof:molecular_formula | C9H11NO2 |
| Molecular mass chemrof:molecular_mass | 165.192 |
| Monoisotopic mass chemrof:monoisotopic_mass | 165.078979, 165.07898 |
| SMILES string chemrof:smiles_string | CCOC(=O)c1ccc(N)cc1 |
Known URLs
48Where 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 |
|---|---|---|
| beilstein | beilstein:638434 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=94-09-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:116735 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.094 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8021804 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01086 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01086 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:323 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/323 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41531 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4688 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755909 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL278172 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U3RSY48JW5 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0004992 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.690F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07527 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00552 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07527 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00552 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5830 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38689 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C28923 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA448576 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/XCPNWX3CQBWX | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL278172 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2337 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10866370 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1155304 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12574744 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12873507 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16640711 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18971079 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21616561 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22015737 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22105694 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22551703 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22556388 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23301559 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23565580 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23696166 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25097477 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2579237 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29079364 | enrich_references.chebi_xrefs |
| reaxys | reaxys:638434 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1399 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q422745 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benzocaine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| feb198ca-23aa-487e-ae2c-72f16fec3a57 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 3001e3f1-1c92-43f6-95e0-1ed30b0840fa | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 74f284f1-d0e3-4a19-841c-6b6e64d03ba0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 17d34748-007e-4921-be1b-40685dc3d4eb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 51961f3b-65f7-4829-9942-bedd53ea66bc | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 43fb206e-767b-4e40-a5ac-30e6ed3bc469 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b6589cb3-e7e4-4462-b3b2-61e10ce991e0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6cfd8a0a-552d-48ff-a264-aefca540285c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b2b986dc-738e-46fa-a9ae-b436d4126a4c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c7d5f24c-97ca-4c66-9390-713bc303416d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e79dbc61-bbaf-459a-9b74-271663d097b3 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| bb011867-d6e5-414d-b662-56f32e38a2bc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 667b8a34-981e-40cd-9ab7-f0a986e5f6ab | 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-0d154077f66bf670",
"prefLabel": [
{
"@value": "Benzocaine",
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],
"altLabel": [
{
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},
{
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},
{
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},
{
"@value": "4-aminobenzoic acid ethyl ester",
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},
{
"@value": "4-Carbethoxyaniline",
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},
{
"@value": "Aethoform",
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},
{
"@value": "Amben ethyl ester",
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},
{
"@value": "Americaine",
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},
{
"@value": "Anacaine",
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},
{
"@value": "Anaesthan-syngala",
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}
},
{
"@value": "Anaesthesin",
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],
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}
},
{
"@value": "Anaesthin",
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}
},
{
"@value": "Anbesol",
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}
},
{
"@value": "Anestezin",
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"@lang": "en",
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"prov:hadPrimarySource": [
"CAS:94-09-7",
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],
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}
},
{
"@value": "Anesthesin",
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],
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}
},
{
"@value": "Anesthesine",
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],
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}
},
{
"@value": "Anesthone",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Baby Anbesol",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzoak",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94-09-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzocaina",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzocainum",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_116735"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Benzoic acid, 4-amino-, ethyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:94-09-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94-09-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzoic acid, p-amino-, ethyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94-09-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chiggerex",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:94-09-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94-09-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diet Ayds",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:94-09-7",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Et-PABA",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethoform",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:94-09-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94-09-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ethyl 4-aminobenzoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ethyl aminobenzoate",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ethyl p-aminobenzenecarboxylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94-09-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl p-aminobenzoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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"http://purl.obolibrary.org/obo/CHEBI_116735"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
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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