Drogen [4-[4-(p-ethoxyanilino)-4'-[ethyl(m-sulphonatobenzyl)amino]-2'-methylbenzhydrylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(m-sulphonatobenzyl)ammonium, Monosodium Salt

Type: ChemicalSalt
CAS: 6104-58-1
EC: 228-058-4
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 55 across every transformer

Structure diagram for Drogen [4-[4-(p-ethoxyanilino)-4'-[ethyl(m-sulphonatobenzyl)amino]-2'-methylbenzhydrylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(m-sulphonatobenzyl)ammonium, Monosodium Salt

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Acid Blue 90
Acid Blue G 4061
Acid Blue PG
Acid Bright Blue G
Acid Brilliant Blue G
Acid Brilliant Cyanine G
Acidine Sky Blue G
Amacid Brilliant Cyanine G
Anadurm Cyanine A-G
BBG
Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, monosodium salt
Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
Benzyl Cyanine G
Biosafe Coomassie Stain
Boomassie blue silver
Brilliant Acid Blue G
Brilliant Acid Blue GI
Brilliant Acid Blue J
Brilliant Acid Cyanine G
Brilliant Blue G
Brilliant Blue G 250
Brilliant Blue J
Brilliant Indocyanine G
Brilliant Indocyanine GA-CF
Bucacid Brilliant Indocyanine G
C.I. Acid Blue 90
C.I. Acid Blue 90, monosodium salt
CBB-G 250
Colocid Brilliant Blue EG
Coomassie Blue G
Coomassie Blue G 250
Coomassie Brilliant Blue G
Coomassie Brilliant Blue G 250
Coomassie G 250
Cyanine G
Daiwa Acid Blue 300
Derma Cyanine G
Derma Cyanine GN 360
Dycosweak Acid Brilliant Blue G
Eriosin Brilliant Cyanine G
Fenazo Blue XXFG
Impero Azure G
Kayanol Cyanine G
Lerui Acid Brilliant Blue G
Milling Brilliant Blue 2J
Optanol Cyanine G
Orient Water Blue 105
Orient Water Blue 105S
Polar Blue G
Polar Blue G 01
Polycor Blue G
Sandolan Cyanine N-G
Sellaset Blue B
Serva Blue G
Serva Blue G 250
Silk Fast Cyanine G
Simacid Blue G 350
Sumitomo Brilliant Indocyanine G
Supranol Cyanin G
Supranol Cyanine G
TissueBlue
Triacid Fast Cyanine G
Xylene Brilliant Cyanine G

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RWFXCYWTHJDCMJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);
Isomeric SMILES string chemrof:isomeric_smiles_string	CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)/C(=C/3\C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3C)/C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na], CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)/C(=C\3/C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3C)/C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na]
Molecular formula chemrof:molecular_formula	C47H49N3NaO7S2
Molecular mass chemrof:molecular_mass	855.047
Monoisotopic mass chemrof:monoisotopic_mass	854.290962
SMILES string chemrof:smiles_string	CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)Cc4cccc(S(=O)(=O)O)c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.[Na]

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=6104-58-1	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/131855968	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/137190538	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/166603986	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
96dff250-0fc3-4994-a3fe-00fd3b9cd1ad	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
ce014fd9-e25e-475a-97b6-b43e4c2f6a99	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
314d8c19-dc8e-4c8b-868e-3bfb3de3b9d8	Environmental → Air → Indoor	EF 3.1	kg	2
db88f91a-7ad0-4204-a75e-19e461ce3e35	Environmental → Air → Long-term	EF 3.1	kg	0
0ee42bf1-2e70-4d40-ab44-5ca5b754f031	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3c8daaad-5071-492d-b0c8-1b786036f39a	Environmental → Air → Unknown	EF 3.1	kg	2
0b94bb80-251b-4b9b-85fb-1b09502c37b0	Environmental → Ground → Agricultural	EF 3.1	kg	2
b3943b15-056c-40e8-bd46-852d986aa3ed	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
aa84aab8-b0e6-4c7c-bcb7-ca1577c18920	Environmental → Ground → Unknown	EF 3.1	kg	2
00dd03fd-4498-44be-b13e-ec7f651afd07	Environmental → Water → Long-term	EF 3.1	kg	0
4c164ed6-4d0c-48e7-8ac6-ee2d0542b34c	Environmental → Water → Ocean	EF 3.1	kg	2
b234a457-1e50-4943-b222-f29531e47318	Environmental → Water → Surface water	EF 3.1	kg	2
28c91e40-8de1-46f3-a64c-761f101fe03c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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      "@value": "Drogen [4-[4-(p-ethoxyanilino)-4'-[ethyl(m-sulphonatobenzyl)amino]-2'-methylbenzhydrylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(m-sulphonatobenzyl)ammonium, Monosodium Salt",
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      "@value": "Acid Blue 90",
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      "@value": "Acid Blue G 4061",
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      "@value": "Acid Blue PG",
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      "@value": "Acid Bright Blue G",
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      "@value": "Acid Brilliant Blue G",
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    {
      "@value": "Acid Brilliant Cyanine G",
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      "@value": "Acidine Sky Blue G",
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    {
      "@value": "Amacid Brilliant Cyanine G",
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    {
      "@value": "Anadurm Cyanine A-G",
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      "@value": "BBG",
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    },
    {
      "@value": "Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt",
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      "@value": "Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, monosodium salt",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl Cyanine G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:6104-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biosafe Coomassie Stain",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6104-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Boomassie blue silver",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Acid Blue G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Acid Blue GI",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Acid Blue J",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Acid Cyanine G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Blue G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Blue G 250",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Blue J",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6104-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Indocyanine G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6104-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brilliant Indocyanine GA-CF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6104-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bucacid Brilliant Indocyanine G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Acid Blue 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6104-58-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Acid Blue 90, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CBB-G 250",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=6104-58-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Colocid Brilliant Blue EG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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Drogen [4-[4-(p-ethoxyanilino)-4'-[ethyl(m-sulphonatobenzyl)amino]-2'-methylbenzhydrylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(m-sulphonatobenzyl)ammonium, Monosodium Salt

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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