Disodium 5-(5-(fluoro-2-substitued-alkylamino)-heteromonocyclylamino)-2- Sulphonatophenylazo)-1-alkyl-1,2-dihydro-6-hydroxy-4-alkyl-2-oxo-3- Pyridinealkanesulphonate
fo-988a76b6afc8d555
Identity
- Type
- Chemical salt
- CAS
- 111850-27-2
- EC
- 402-740-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
2- 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
Properties
| 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+] |
Known URLs
7Where 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 |
Elementary flows
13| 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 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works