Consensus flow list

Tetrasodium 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

fo-aa4d26021a76ec3f

Identity

Type
Chemical salt
CAS
17095-24-8
EC
241-164-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tetrasodium 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

Alternative labels

62

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HFIYIRIMGZMCPC-YOLJWEMLSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name Tetrasodium 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate
Molecular formula chemrof:molecular_formula C26H21N5Na4O19S6, C26H21N5O19S6.4Na
Molecular mass chemrof:molecular_mass 991.832
Monoisotopic mass chemrof:monoisotopic_mass 990.874577, 990.87458
SMILES string chemrof:smiles_string Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c12.[Na+].[Na+].[Na+].[Na+]

Known URLs

19

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=17095-24-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53731 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.127.072 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4027787 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1326377 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O0HDY58362 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.801.400I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.446.149A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C16001 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C16001 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135442967 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11696055 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22945656 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23579846 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23982200 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24435205 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9819302 enrich_references.chebi_xrefs
reaxys reaxys:8184406 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27124180 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
842ff3b6-9979-4067-8ca0-b9812eb59266 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f24e76ff-451c-4a06-b942-e53185efbf77 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
785d7ff6-1925-4ff3-9571-12a3d777f2a6 Environmental → Air → Indoor EF 3.1 kg 4
e875454d-5ff1-4283-ab32-7185702fc3d3 Environmental → Air → Long-term EF 3.1 kg 0
c4adaeaf-7c00-4ec1-8820-ecd7720e1374 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7b375baa-ace4-4fee-8d70-7830983418e3 Environmental → Air → Unknown EF 3.1 kg 4
f77ea1b4-06d7-4f2c-ac74-ed20244c4e0b Environmental → Ground → Agricultural EF 3.1 kg 4
4a406375-ee2d-42ea-94e0-9a50f97c3522 Environmental → Ground → Non-agricultural EF 3.1 kg 4
87c5b05e-849f-4f7f-8376-4536013bdcec Environmental → Ground → Unknown EF 3.1 kg 4
55ed5ba3-d790-40ae-9131-7d10c85cc0a4 Environmental → Water → Long-term EF 3.1 kg 0
bbd73dd5-ae44-45ab-a51a-46a0e6c42cc1 Environmental → Water → Ocean EF 3.1 kg 4
503440a3-0ade-437a-b535-5a2ec72caf69 Environmental → Water → Surface water EF 3.1 kg 4
e35fbe0a-2b18-4af0-b536-09a5e742a8a3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-aa4d26021a76ec3f",
  "prefLabel": [
    {
      "@value": "Tetrasodium 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)",
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    },
    {
      "@value": "2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt",
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    {
      "@value": "2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[p-[(2-hydroxyethyl)sulfonyl]phenyl]azo]-, 3,6-bis(hydrogen sulfate) (ester), tetrasodium salt",
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