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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

UUID fea26160-82b9-4eb4-b1bb-610e98d61548
Flow Object IDfo-6e38bd001c8d43b7
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 24124-40-1
EC Numbers 246-025-2
prefLabel
Language Value Provenance
en 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid
altLabel ⓘ
Language Value Provenance
en 1-Amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
en 2-Anthracenesulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dihydro-9,10-dioxo-
en 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
References
Shared Properties
Predicate Value
InChIKey LQWXDEOZWGMSAR-UHFFFAOYSA-N, NBFVPBDHQONYGR-UHFFFAOYSA-N, SXBBEBWJKCVUGH-UHFFFAOYSA-N
InChI InChI=1S/C23H21N3O8S2/c1-9-17(24)10(2)22(35(29,30)31)11(3)19(9)26-15-8-14-16(18(25)23(15)36(32,33)34)21(28)13-7-5-4-6-12(13)20(14)27/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34), 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), InChI=1S/C7H14N2S.ClH/c1-7(2,6-10)9-5-3-4-8;/h9-10H,3,5-6H2,1-2H3;1H
IUPAC name 1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-diketo-anthracene-2-sulfonic acid, 1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid, 1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid, 1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-diketo-anthracene-2-sulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-azanyl-3-[(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid, 1-azanyl-4-[(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid, 3-[(1,1-dimethyl-2-sulfanyl-ethyl)amino]propanenitrile;hydrochloride, 3-[(1-mercapto-2-methylpropan-2-yl)amino]propanenitrile;hydrochloride, 3-[(2-mercapto-1,1-dimethyl-ethyl)amino]propionitrile;hydrochloride, 3-[(2-methyl-1-sulfanyl-propan-2-yl)amino]propanenitrile;hydrochloride, 3-[(2-methyl-1-sulfanylpropan-2-yl)amino]propanenitrile;hydrochloride
Molecular formula C23H21N3O8S2, C7H15ClN2S
SMILES CC(C)(CS)NCCC#N.Cl, CC1=C(C(=C(C(=C1NC2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C)N, CC1=C(C(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fea26160-82b9-4eb4-b1bb-610e98d61548 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid Emissions/Emissions to air/Emissions to air, indoor kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid||dimension=Environmental > media=Air > strata=Unknown; cas=24124-40-1; added Common Chemistry CAS names as altLabel: 1-Amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-; object_uuid=fo-6e38bd001c8d43b7
cas_match_labels 1 — consensus_match group_key=1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'24124-40-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e38bd001c8d43b7: {'24124-40-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24124-40-1', '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', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24124-40-1', '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-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:24124-40-1', 'https://commonchemistry.cas.org/detail?cas_rn=24124-40-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid||dimension=Environmental > media=Air > strata=Unknown; cas=24124-40-1; added Common Chemistry CAS names as altLabel: 1-Amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-; object_uuid=fo-6e38bd001c8d43b7
cas_match_labels None {'24124-40-1': 'exactMatch'} group_key=1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'24124-40-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e38bd001c8d43b7: {'24124-40-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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        "1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid",
        "1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid",
        "1-amino-3-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid",
        "1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-diketo-anthracene-2-sulfonic acid",
        "1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid",
        "1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid",
        "1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid",
        "1-azanyl-3-[(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid",
        "1-azanyl-4-[(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid",
        "3-[(1,1-dimethyl-2-sulfanyl-ethyl)amino]propanenitrile;hydrochloride",
        "3-[(1-mercapto-2-methylpropan-2-yl)amino]propanenitrile;hydrochloride",
        "3-[(2-mercapto-1,1-dimethyl-ethyl)amino]propionitrile;hydrochloride",
        "3-[(2-methyl-1-sulfanyl-propan-2-yl)amino]propanenitrile;hydrochloride",
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