Disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred Name)
d5c0c150-bfff-4153-a4b5-314abe051496
Identity
- Substance
- fo-4c5c45b3d7f5a403 Chemical salt
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Aircraft cruise height
- CAS
- 27344-06-5
- EC
- 248-420-5
Context
- Dimension
- Environmental
- Media
- Air
- Strata
- Aircraft cruise height
Alternative labels
3- 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | d5c0c150-bfff-4153-a4b5-314abe051496 | disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred name) | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | d5c0c150-bfff-4153-a4b5-314abe051496 | disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred name) | Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 0.16292 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 0.16292 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 0.16292 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 0.16292 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.8878e-09 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.8878e-09 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.8878e-09 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.8878e-09 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:27344-06-5",
"https://commonchemistry.cas.org/detail?cas_rn=27344-06-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:27344-06-5",
"https://commonchemistry.cas.org/detail?cas_rn=27344-06-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:27344-06-5",
"https://commonchemistry.cas.org/detail?cas_rn=27344-06-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C42H44N14Na2O10S2",
"C42H46N14NaO10S2"
],
"attested_by": {
"C42H44N14Na2O10S2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C42H46N14NaO10S2": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:161565",
"CID:6440980",
"CID:156593809",
"CID:172640837"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BLKMUAVUOHCFQJ-CALJPSDSSA-N",
"KXZDXBWYWMOFCR-YHPRVSEPSA-L"
],
"attested_by": {
"BLKMUAVUOHCFQJ-CALJPSDSSA-N": [
"enrich_references.pubchem_semantic"
],
"KXZDXBWYWMOFCR-YHPRVSEPSA-L": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:161565",
"CID:6440980",
"CID:156593809",
"CID:172640837"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]"
]
}
],
"attested_by": {
"NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt"
]
},
"attested_by": {
"2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.044.004",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:161565;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27344-06-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=27344-06-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:172640837;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27344-06-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60889696",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:161565;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27344-06-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/30I2S866LK",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6440980;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27344-06-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/156593809",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:156593809;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27344-06-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/161565",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:161565;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27344-06-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/172640837",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:172640837;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27344-06-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6440980",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6440980;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27344-06-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126609200",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:161565;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27344-06-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27255955",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6440980;CAS:27344-06-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27344-06-5]"
}
}
],
"prefLabel": [
{
"@value": "Disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred Name)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "d5c0c150-bfff-4153-a4b5-314abe051496",
"identifier": "d5c0c150-bfff-4153-a4b5-314abe051496",
"source": "EF 3.1",
"cas_numbers": [
"27344-06-5"
],
"ec_numbers": [
"248-420-5"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Aircraft cruise height"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.16292
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.8878e-9
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.8878e-9
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 0.16292
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-4c5c45b3d7f5a403",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/d5c0c150-bfff-4153-a4b5-314abe051496",
"skos:prefLabel": "disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred name)",
"context": "Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/d5c0c150-bfff-4153-a4b5-314abe051496"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/d5c0c150-bfff-4153-a4b5-314abe051496"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "withhold_ambiguous_mass",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"27344-06-5": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred name)",
"synonyms": [
"organic",
"disodium4,4'",
"-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'",
"-disulphonate",
"opticalbrighteningagentapa230"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to lower stratosphere and upper troposphere"
],
"cas_numbers": [
"27344-06-5"
],
"ec_numbers": [
"248-420-5"
],
"unit": "kg"
}
}