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1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid

fo-6e38bd001c8d43b7

Identity

Type
Neutral molecule
CAS
24124-40-1
EC
246-025-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LQWXDEOZWGMSAR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H21N3O8S2/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34)
IUPAC name chemrof:IUPAC_name 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid
Molecular formula chemrof:molecular_formula C23H21N3O8S2
Molecular mass chemrof:molecular_mass 531.568
Monoisotopic mass chemrof:monoisotopic_mass 531.077007
SMILES string chemrof:smiles_string Cc1c(N)c(C)c(S(=O)(=O)O)c(C)c1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O

Known URLs

6

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=24124-40-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.827 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8074023 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.363H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90368 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72447697 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f3f76d0c-f9ad-428b-b600-c8092ba6de7b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dc6976b6-ced3-47b4-9d2c-bf965517d3a7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fea26160-82b9-4eb4-b1bb-610e98d61548 Environmental → Air → Indoor EF 3.1 kg 2
7680c772-03fe-4ddc-936b-3bbb7160770b Environmental → Air → Long-term EF 3.1 kg 0
f32baec3-37bf-406b-af59-b189b648d9d3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
04d529fd-9968-4094-ad10-9dabd7bb5605 Environmental → Air → Unknown EF 3.1 kg 2
a67c70f1-7535-4060-b4a3-07d797c1b59a Environmental → Ground → Agricultural EF 3.1 kg 2
996aee94-ea4a-4676-8c7c-2664a95696c6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4ea451dc-ccbf-4ff1-a827-837c2137d1cc Environmental → Ground → Unknown EF 3.1 kg 2
b4f5b4f5-aeb1-46f1-a2e9-36795d047381 Environmental → Water → Long-term EF 3.1 kg 0
1a5ac370-df58-4bc9-9164-6e2d31eb6d4b Environmental → Water → Ocean EF 3.1 kg 2
e26e5c23-d79b-4688-a197-cff0b05973e2 Environmental → Water → Surface water EF 3.1 kg 2
bf56e29f-e624-4437-8af7-a99392a09fc9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6e38bd001c8d43b7",
  "prefLabel": [
    {
      "@value": "1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid",
      "@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": "1-Amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=24124-40-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dihydro-9,10-dioxo-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-",
      "@language": "en",
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  ],
  "properties": {
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        "C23H21N3O8S2"
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      "@value": [
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      "provenance": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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        }
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      "attested_by": {
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  },
  "references": [
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  "created_from": {
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}

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