Consensus flow list

Identity

Type
ChemicalSalt
CAS
25797-81-3
EC
247-269-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MHHGZCMFNNAVCQ-UHFFFAOYSA-M, YGBMWABFFKMNIJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Molecular formula chemrof:molecular_formula C24H22N3NaO8S2, C24H23N3NaO8S2
SMILES string chemrof:smiles_string Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[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=25797-81-3 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131851829 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
b422fdf1-43f3-4e64-a0ea-75ca3cdd6ffe Environmental → Air → Aircraft cruise height EF 3.1 kg 4
595fc57a-603b-41a3-9194-aaac25456ce3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
aff18bec-740e-4919-8e5a-558a9e4a435b Environmental → Air → Indoor EF 3.1 kg 4
e819f26e-e4a9-4ced-80a7-d465cb09c6a3 Environmental → Air → Long-term EF 3.1 kg 0
5a1804c9-7dad-4416-95d7-08620726f77b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
09674b8a-a011-4d97-8d72-591c28e05ba3 Environmental → Air → Unknown EF 3.1 kg 4
a6c79734-8b23-4d4b-9033-3de0c1e5a304 Environmental → Ground → Agricultural EF 3.1 kg 4
a9c50f02-38a5-4f0b-b326-52aca7498183 Environmental → Ground → Non-agricultural EF 3.1 kg 4
309c47ac-6cca-4478-a8b5-471178598834 Environmental → Ground → Unknown EF 3.1 kg 4
86604013-4ba1-4f9b-a0b5-27950edcb0e6 Environmental → Water → Long-term EF 3.1 kg 0
44dbd737-e124-4552-9daa-d83baf2ab3a5 Environmental → Water → Ocean EF 3.1 kg 4
bea2f8f7-eb3c-46bd-9751-c34f482803c2 Environmental → Water → Surface water EF 3.1 kg 4
007c5b12-ab12-413f-ae0e-3bfcc404c58d 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
{
  "flow_object_id": "fo-7d61f943f6d31352",
  "prefLabel": [
    {
      "@value": "Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-, monosodium salt",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, monosodium salt",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, sodium salt (1:1)",
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    },
    {
      "@value": "Erio Blue BGL",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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