Disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- Sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3- Pyridinealkanesulphonate

3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)
3-Pyridinemethanesulfonic acid, 5-[[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MCFDUGYJHVQINE-UHFFFAOYSA-L, MYUXRACHGAMLKW-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/C24H29FN8O11S3.2Na/c1-4-33-20(34)16(13-46(38,39)40)14(3)19(21(33)35)32-31-17-12-15(6-7-18(17)47(41,42)43)27-24-29-22(25)28-23(30-24)26-8-9-44-10-11-45(36,37)5-2;;/h5-7,12,35H,2,4,8-11,13H2,1,3H3,(H,38,39,40)(H,41,42,43)(H2,26,27,28,29,30);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name	3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-[[2-[2-(ethenylsulfonyl)ethoxy]ethyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2)
Molecular formula chemrof:molecular_formula	C24H27FN8Na2O11S3
SMILES string chemrof:smiles_string	C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(S(=O)(=O)[O-])c(N=Nc3c(C)c(CS(=O)(=O)[O-])c(=O)n(CC)c3O)c2)n1.[Na+].[Na+]

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=111850-27-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.100.453	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.125.469	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID501014712	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J381.657E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/101597384	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/155926054	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
1e843c31-774b-4e2c-940c-ad285e7e2f15	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
16111a43-1d65-48b2-90a8-01b56bebc529	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
0af84045-927b-4cb7-94ea-1e1d6584f0b7	Environmental → Air → Indoor	EF 3.1	kg	4
e3c9ed02-ce17-42c0-88fd-c5ca578a64dc	Environmental → Air → Long-term	EF 3.1	kg	0
68c755fc-eaae-4f55-8a25-930fb2ad1350	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1b64b390-8bdc-4d88-aee0-99c9f956d124	Environmental → Air → Unknown	EF 3.1	kg	4
761b8ca9-38b9-499d-a21d-effb4929d01e	Environmental → Ground → Agricultural	EF 3.1	kg	4
13f1b767-073d-4b4c-a799-7a241ab17cac	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
39dadb8d-9dc7-4190-8f4c-6b6bffc5da6c	Environmental → Ground → Unknown	EF 3.1	kg	4
c2fdbe36-e1bf-4f0e-a490-79b1fb08c720	Environmental → Water → Long-term	EF 3.1	kg	0
53f1467c-6771-4e81-84bb-0838edbc27ec	Environmental → Water → Ocean	EF 3.1	kg	4
8b863429-5cc3-4def-a01f-92fa450e5157	Environmental → Water → Surface water	EF 3.1	kg	4
20eaae3e-3317-4555-9780-49378e147f34	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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Disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- Sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3- Pyridinealkanesulphonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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