Consensus flow list

Identity

Type
Neutral molecule
CAS
22212-55-1
EC
244-845-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for Ethyl N-benzoyl-N-(3,4-dichlorophenyl)-DL-alaninate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SLCGUGMPSUYJAY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl N-benzoyl-N-(3,4-dichlorophenyl)-DL-alaninate, 2-(N-Benzoyl-3,4-dichloroanilino)propanoic acid ethyl ester
Molecular formula chemrof:molecular_formula C18H17Cl2NO3
Molecular mass chemrof:molecular_mass 366.244
Monoisotopic mass chemrof:monoisotopic_mass 365.058549
SMILES string chemrof:smiles_string CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

Known URLs

10

Where 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=22212-55-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82171 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.753 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040281 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95764D9P7D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249057 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.422G enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C19044 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31068 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22831374 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
6f68995a-070c-4f44-8e0d-5ac5b942440b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cea0a9f3-4f97-4b4b-8508-36549d9d3294 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e73b8221-0481-4550-880b-ddf80aacafe9 Environmental → Air → Indoor EF 3.1 kg 2
3ca81932-9bcb-4f38-b30a-ed26d88b6291 Environmental → Air → Long-term EF 3.1 kg 0
44e1d94f-de8d-4c12-ad13-0af22d370b3b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3b93211a-a028-4771-8d83-a3dbbfdeaf1b Environmental → Air → Unknown EF 3.1 kg 2
6259f4ee-b329-44f2-9782-22a80b9ab4f7 Environmental → Ground → Agricultural EF 3.1 kg 2
909c13ad-dadd-4309-921a-f9eaa9eb41d0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a45947353305c4bca1fd3a5fd1fb2a9ec15b435f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9660a358-7b3a-45aa-83bd-c34bf0207551 Environmental → Ground → Unknown EF 3.1 kg 2
c4bca79f-2830-4919-8076-e005672926b6 Environmental → Water → Long-term EF 3.1 kg 0
5b888b97-69e4-41dd-8a16-12927eeffffb Environmental → Water → Ocean EF 3.1 kg 2
7bb8d577-cd0e-424a-a47b-28337b4a73ad Environmental → Water → Surface water EF 3.1 kg 2
e2e7a480-0e7b-45ae-abec-1704dfd5e337 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1a86da422dbdaf4c",
  "prefLabel": [
    {
      "@value": "Ethyl N-benzoyl-N-(3,4-dichlorophenyl)-DL-alaninate",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(N-Benzoyl-3,4-dichloroanilino)propanoic acid ethyl ester",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Alanine, N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester",
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      }
    },
    {
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      }
    },
    {
      "@value": "Benzoylprop-ethyl",
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      }
    },
    {
      "@value": "DL-Alanine, N-benzoyl-N-(3,4-dichlorophenyl)-, ethyl ester",
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    },
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      }
    },
    {
      "@value": "Ethyl 2-[benzoyl(3,4-dichlorophenyl)amino]propionate",
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    },
    {
      "@value": "Ethyl N-benzoyl-N-(3,4-dichlorophenyl)-2-aminopropionate",
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    {
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  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "references": [
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          "CID:31068;CAS:22212-55-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22212-55-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "3b93211a-a028-4771-8d83-a3dbbfdeaf1b",
    "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": [
        "22212-55-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=22212-55-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=22212-55-1"
        }
      ],
      "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": [
        "244-845-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=244-845-5"
      ],
      "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"
  ]
}

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