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Propoxycarbazone-sodium (prop)

fo-00fe4d0d033a8c0a

Identity

Type
Molecular complex
CAS
181274-15-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Propoxycarbazone-sodium (prop)

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LNSXXOLAIATXPJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H18N4O7S.Na/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3;/h5-8H,4,9H2,1-3H3,(H,17,21);
IUPAC name chemrof:IUPAC_name Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt
Molecular formula chemrof:molecular_formula C15H18N4NaO7S
Molecular mass chemrof:molecular_mass 421.387
Monoisotopic mass chemrof:monoisotopic_mass 421.079389
SMILES string chemrof:smiles_string CCCOc1nn(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C.[Na]

Known URLs

2

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=181274-15-7 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11510058 enrich_references.pubchem_compound

Elementary flows

14
Flow Context Source Unit CFs
bce85a2d-b41a-41af-822d-660e67bd150a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4e6a930f-88f9-4524-9533-8a27ae8c67b3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4f7b6abe-9b29-4036-8135-0ce7fb3bd164 Environmental → Air → Indoor EF 3.1 kg 4
3787669e-1097-444b-b417-aca514b4f64f Environmental → Air → Long-term EF 3.1 kg 0
76a79776-06cf-4468-b14b-ca68ef2e151d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1fc4e243-0ef8-4640-aea6-44953d7290cd Environmental → Air → Unknown EF 3.1 kg 4
aa50f9ca-306a-42fc-ab6a-edf719c4a289 Environmental → Ground → Agricultural EF 3.1 kg 4
2decc9da-9ff4-4254-a243-86459254b082 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9abe270e16cd58fb21f30307c457cecc57934bb8 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
c8e35a3a-6ea7-432c-8f16-60d3036069f7 Environmental → Ground → Unknown EF 3.1 kg 4
df2bab53-1b75-45a2-a67f-5235d7c812fc Environmental → Water → Long-term EF 3.1 kg 0
8f353fc0-9d0c-414c-8062-464d56a9b271 Environmental → Water → Ocean EF 3.1 kg 4
009ee7ee-3228-4198-9d70-b7ebfb11b984 Environmental → Water → Surface water EF 3.1 kg 4
5f1459e4-f3ea-4691-bc9a-404b8efd0d17 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-00fe4d0d033a8c0a",
  "prefLabel": [
    {
      "@value": "Propoxycarbazone-sodium (prop)",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
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        ],
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    },
    {
      "@value": "BAY-MKH 6561",
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          "https://commonchemistry.cas.org/detail?cas_rn=181274-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt",
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      }
    },
    {
      "@value": "Olympus",
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      ],
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      "@value": [
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            "CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC.[Na]"
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      ],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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      },
      "attested_by": {
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        ]
      }
    }
  },
  "references": [
    {
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      }
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  "created_from": {
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    "seed_uuid": "009ee7ee-3228-4198-9d70-b7ebfb11b984",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
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  },
  "classifications": {
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      ],
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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