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Tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate

fo-f47e9fb98a69e952

Identity

Type
Chemical salt
CAS
106359-91-5
EC
402-170-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BTCMRMVIDXSNEW-UHFFFAOYSA-K, UDGANYTVZCQILT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H26FN9O13S4.3Na/c1-2-50(38,39)8-7-49-6-5-29-25-32-23(27)33-26(34-25)30-15-3-4-18(19(11-15)31-24(28)37)35-36-20-13-17-14(10-22(20)53(46,47)48)9-16(51(40,41)42)12-21(17)52(43,44)45;;;/h2-4,9-13H,1,5-8H2,(H3,28,31,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,29,30,32,33,34);;;/q;3*+1/p-3
IUPAC name chemrof:IUPAC_name 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)
Molecular formula chemrof:molecular_formula C26H23FN9Na3O13S4, C26H26FN9Na3O13S4
SMILES string chemrof:smiles_string C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(N=Nc3cc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc4cc3S(=O)(=O)[O-])c(NC(N)=O)c2)n1.[Na+].[Na+].[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=106359-91-5 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131865393 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
a9be21ff-758e-4078-9dc5-7731f1db21fd Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ae8905c7-7f77-4ccb-b6b9-17424e61bd04 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
63f4cb0d-6469-4762-bcaa-d3a02d690fa2 Environmental → Air → Indoor EF 3.1 kg 4
d333ad0c-54b9-4f0b-8963-e5134ca6a764 Environmental → Air → Long-term EF 3.1 kg 0
d25d6555-24cc-4101-b69d-3cb6b149eba7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d106ede5-4ce1-495c-9dfb-350b9e13d5ff Environmental → Air → Unknown EF 3.1 kg 4
3acbf73a-2ec7-48cd-9602-8af08e8ff100 Environmental → Ground → Agricultural EF 3.1 kg 4
8badeb1c-7cde-439f-918f-53a55350e400 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8d0d8b25-bcb6-4618-9434-ff7e3bb8b984 Environmental → Ground → Unknown EF 3.1 kg 4
2c81b2a1-ec1c-4d6d-90bd-e370f8637f12 Environmental → Water → Long-term EF 3.1 kg 0
c925165e-dc67-48ec-845a-fdfa792a2289 Environmental → Water → Ocean EF 3.1 kg 4
580796d7-c027-4e54-8729-5f1a3845bc45 Environmental → Water → Surface water EF 3.1 kg 4
16188b8b-3e84-4331-969f-c60218f41261 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-f47e9fb98a69e952",
  "prefLabel": [
    {
      "@value": "Tri-sodium 7-(4-(4-fluoro-6-(2-(2-vinylsulphonyethoxy)ethylamino)-1,3,5-triazine- 2-ylamino)-2-ureidophenylazo)naphthalene-1,3,6-trisulphonate",
      "@language": "en",
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  "altLabel": [
    {
      "@value": "1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)",
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    {
      "@value": "1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt",
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}

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