Consensus flow list

N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide

fo-2f03c97ec0abbda0

Identity

Type
Neutral molecule
CAS
12225-18-2
EC
235-427-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WNWZKKBGFYKSGA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H27ClN4O8S/c1-15(32)25(26(33)28-18-12-20(36-2)17(27)11-21(18)37-3)30-29-19-13-23(39-5)24(14-22(19)38-4)40(34,35)31-16-9-7-6-8-10-16/h6-14,25,31H,1-5H3,(H,28,33)
IUPAC name chemrof:IUPAC_name N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide
Molecular formula chemrof:molecular_formula C26H27ClN4O8S
Molecular mass chemrof:molecular_mass 591.042
Monoisotopic mass chemrof:monoisotopic_mass 590.123813
SMILES string chemrof:smiles_string COc1cc(NC(=O)C(N=Nc2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl

Known URLs

8

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=12225-18-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.195 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9041736 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8ZNH60AHS0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.088J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61559 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126678032 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pigment_Yellow_97 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d62263ef-f7a5-408a-be64-3a971d8a4387 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b71e144-618e-4205-9058-a9d261e8f641 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5e8bad70-5473-43a8-a184-d1e5ee8b7c5f Environmental → Air → Indoor EF 3.1 kg 4
249a6571-6e1f-4740-9921-8f0c1a02c582 Environmental → Air → Long-term EF 3.1 kg 0
a21daddb-8450-40c6-a7c4-3cd3171ff6b8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
cfc76899-af71-4bd0-b629-d2aa771531cc Environmental → Air → Unknown EF 3.1 kg 4
05163ef4-42fb-413e-8e9f-67fc12b667cc Environmental → Ground → Agricultural EF 3.1 kg 4
c9a3a06a-d6f3-4fbf-beb5-67db12dfd372 Environmental → Ground → Non-agricultural EF 3.1 kg 4
846eb41c-b70e-4215-bdc8-d7b0b45b4e86 Environmental → Ground → Unknown EF 3.1 kg 4
b1ebdd15-31d0-42f4-a151-ffe206f8bf53 Environmental → Water → Long-term EF 3.1 kg 0
77a18e9e-aa6f-48eb-b7bb-8b60664a633d Environmental → Water → Ocean EF 3.1 kg 4
f2d2a528-1cb4-4424-a5cc-ae8153fc61ca Environmental → Water → Surface water EF 3.1 kg 4
8515cbe0-f628-4a47-add2-ac2c4fee3b05 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "12225-18-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=12225-18-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=12225-18-2"
        }
      ],
      "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": [
        "235-427-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=235-427-3"
      ],
      "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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