Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
fo-a24825e314bf08bc
Identity
- Type
- Chemical salt
- CAS
- 67786-25-8
- EC
- 267-097-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
3- 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-[bis(2-hydroxypropyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NTHKAJBKFNFLHL-WPYDVODASA-J |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4 |
| IUPAC name chemrof:IUPAC_name | Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate] |
| Molecular formula chemrof:molecular_formula | C44H48N12Na4O16S4 |
| Molecular mass chemrof:molecular_mass | 1221.164 |
| Monoisotopic mass chemrof:monoisotopic_mass | 1220.178485 |
| SMILES string chemrof:smiles_string | CC(O)CN(CC(C)O)c1nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccc(S(=O)(=O)[O-])cc5)nc(N(CC(C)O)CC(C)O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+].[Na+].[Na+] |
Known URLs
9Where 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=67786-25-8 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=99549-42-5 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.060.979 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.116.664 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0029397 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1IQ37U7KFJ | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/106796 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6437255 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81984019 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5adbced5-f146-4bf5-83c7-b284823f00f8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 39f11c22-0456-48e2-8da1-c5e52fa143ba | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9a5002fa-5e00-430b-835a-9f1f9ea784b7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 46ddca90-430b-4d4a-8841-81c4ded93d5f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c926e191-9a5d-442e-90b4-0c5e5ff00b75 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 978aad2d-f682-4ba6-a4a8-56808db59aba | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 8e21c6f2-4a4a-46b0-b626-c284c8cd586e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 901b5988-0a17-4c29-bec3-90ae2bb3d4c7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 85146733-8516-4581-a9ff-25fee59fbc25 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c4cf4e5c-1c4d-4ce7-9668-e6506f0784c2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d8d3518f-7637-4a11-b58d-08cb6079fc4b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 0059e39b-cc85-4097-bf59-33bdce55aa6e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d515a226-e4db-4654-9cbf-7115fadf1aed | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 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