Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
fo-7d61f943f6d31352
Identity
- Type
- Chemical salt
- CAS
- 25797-81-3
- EC
- 247-269-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
12- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-, monosodium salt
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, monosodium salt
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, sodium salt (1:1)
- Acid Blue 277
- Best Acid Brilliant Blue 4R
- C.I. Acid Blue 277
- Chromalon Blue 4R-KLW
- Erio Blue BGL
- Nylosan Blue E 4R
- Taitilon Blue GLF-T
- Tectilon Blue 4R
- Triacid Fast Blue 4RL
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MHHGZCMFNNAVCQ-UHFFFAOYSA-M, YGBMWABFFKMNIJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate |
| Molecular formula chemrof:molecular_formula | C24H22N3NaO8S2, C24H23N3NaO8S2 |
| SMILES string chemrof:smiles_string | Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+] |
Known URLs
2Where 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=25797-81-3 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/131851829 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b422fdf1-43f3-4e64-a0ea-75ca3cdd6ffe | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 595fc57a-603b-41a3-9194-aaac25456ce3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| aff18bec-740e-4919-8e5a-558a9e4a435b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| e819f26e-e4a9-4ced-80a7-d465cb09c6a3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5a1804c9-7dad-4416-95d7-08620726f77b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 09674b8a-a011-4d97-8d72-591c28e05ba3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a6c79734-8b23-4d4b-9033-3de0c1e5a304 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a9c50f02-38a5-4f0b-b326-52aca7498183 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 309c47ac-6cca-4478-a8b5-471178598834 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 86604013-4ba1-4f9b-a0b5-27950edcb0e6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 44dbd737-e124-4552-9daa-d83baf2ab3a5 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bea2f8f7-eb3c-46bd-9751-c34f482803c2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 007c5b12-ab12-413f-ae0e-3bfcc404c58d | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-7d61f943f6d31352",
"prefLabel": [
{
"@value": "Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulfamoyl]-3,4-xylidino]-9,10-dioxo-, monosodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, monosodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acid Blue 277",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Best Acid Brilliant Blue 4R",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "C.I. Acid Blue 277",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chromalon Blue 4R-KLW",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Erio Blue BGL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nylosan Blue E 4R",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Taitilon Blue GLF-T",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tectilon Blue 4R",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triacid Fast Blue 4RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25797-81-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C24H22N3NaO8S2",
"C24H23N3NaO8S2"
],
"attested_by": {
"C24H23N3NaO8S2": [
"enrich_references.pubchem_semantic"
],
"C24H22N3NaO8S2": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131851829"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MHHGZCMFNNAVCQ-UHFFFAOYSA-M",
"YGBMWABFFKMNIJ-UHFFFAOYSA-N"
],
"attested_by": {
"YGBMWABFFKMNIJ-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"MHHGZCMFNNAVCQ-UHFFFAOYSA-M": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131851829"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+]"
]
}
],
"attested_by": {
"Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[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/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C.[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate"
]
},
"attested_by": {
"Sodium 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25797-81-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131851829;CAS:25797-81-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25797-81-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131851829",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131851829;CAS:25797-81-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25797-81-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "007c5b12-ab12-413f-ae0e-3bfcc404c58d",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"25797-81-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25797-81-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"247-269-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=247-269-2"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
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