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4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide

2D structure
UUID 8ba3bd6d-9dee-49d8-995b-04dab99354b3
Deprecated yes
Replaced By a52c883e-7820-4718-ace1-037db3b66464
Flow Object IDfo-934151313b66de8e
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 12225-08-0
EC Numbers 235-426-8
prefLabel
Language Value Provenance
en 4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide
altLabel
Language Value Provenance
en 2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-
en 2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-
en <em>N</em>-(2,3-Dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide
en Bordeaux HF 3R13-3390
en C.I. Pigment Violet 32
en Graphtol Bordeaux HF 3R
en HF 3R
en Novoperm Bordeaux HF 3R
en PV 32
en PV Bordeaux HF 3R
en Permanent Bordeaux HF3R
en Pigment Violet 32
References
Shared Properties
Predicate Value
InChIKey PMNQZZBSQLEETO-UHFFFAOYSA-N, UYYYMGPWQPIMAL-UHFFFAOYSA-N
InChI InChI=1S/C27H22N6O7S/c1-28-41(37,38)23-13-21(39-2)20(12-22(23)40-3)32-33-24-16-7-5-4-6-14(16)10-17(25(24)34)26(35)29-15-8-9-18-19(11-15)31-27(36)30-18/h4-13,28,34H,1-3H3,(H,29,35), InChI=1S/C27H24N6O7S/c1-28-41(37,38)23-13-21(39-2)20(12-22(23)40-3)32-33-24-16-7-5-4-6-14(16)10-17(25(24)34)26(35)29-15-8-9-18-19(11-15)31-27(36)30-18/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)
IUPAC name 4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-naphthamide, 4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-ketobenzimidazol-5-yl)-2-naphthamide, 4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-naphthalenecarboxamide, 4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide, 4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxo-5-benzimidazolyl)-2-naphthalenecarboxamide, 4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxobenzimidazol-5-yl)naphthalene-2-carboxamide, 4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide, 4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-N-(2-oxobenzimidazol-5-yl)naphthalene-2-carboxamide, 4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-oxidanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide, 4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-oxidanyl-N-(2-oxidanylidenebenzimidazol-5-yl)naphthalene-2-carboxamide
Molecular formula C27H22N6O7S, C27H24N6O7S
Molecular mass 576.591
Monoisotopic mass 576.142718
SMILES CNS(=O)(=O)C1=C(C=C(C(=C1)OC)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)NC(=O)N5)O)OC, CNS(=O)(=O)C1=C(C=C(C(=C1)OC)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC5=NC(=O)N=C5C=C4)O)OC, CNS(=O)(=O)c1cc(OC)c(N=Nc2c(O)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc3ccccc23)cc1OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8ba3bd6d-9dee-49d8-995b-04dab99354b3 4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide

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=4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide||dimension=Environmental > media=Ground > geography=Unknown; cas=12225-08-0; added Common Chemistry CAS names as altLabel: 2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-, 2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-, <em>N</em>-(2,3-Dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide, Bordeaux HF 3R13-3390, C.I. Pigment Violet 32, Graphtol Bordeaux HF 3R, HF 3R, Novoperm Bordeaux HF 3R, PV 32, PV Bordeaux HF 3R, Permanent Bordeaux HF3R, Pigment Violet 32; object_uuid=fo-934151313b66de8e
cas_match_labels 1 consensus_match group_key=4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'12225-08-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-934151313b66de8e: {'12225-08-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(2,3-Dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bordeaux HF 3R13-3390', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Pigment Violet 32', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Graphtol Bordeaux HF 3R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HF 3R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Novoperm Bordeaux HF 3R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PV 32', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PV Bordeaux HF 3R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Permanent Bordeaux HF3R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pigment Violet 32', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12225-08-0', 'https://commonchemistry.cas.org/detail?cas_rn=12225-08-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide||dimension=Environmental > media=Ground > geography=Unknown; cas=12225-08-0; added Common Chemistry CAS names as altLabel: 2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-, 2-Naphthalenecarboxamide, <em>N</em>-(2,3-dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-, <em>N</em>-(2,3-Dihydro-2-oxo-1<em>H</em>-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide, Bordeaux HF 3R13-3390, C.I. Pigment Violet 32, Graphtol Bordeaux HF 3R, HF 3R, Novoperm Bordeaux HF 3R, PV 32, PV Bordeaux HF 3R, Permanent Bordeaux HF3R, Pigment Violet 32; object_uuid=fo-934151313b66de8e
cas_match_labels None {'12225-08-0': 'exactMatch'} group_key=4-{[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl}-3-hydroxy-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-2-naphthamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'12225-08-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-934151313b66de8e: {'12225-08-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-ketobenzimidazol-5-yl)-2-naphthamide",
        "4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-naphthalenecarboxamide",
        "4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide",
        "4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxo-5-benzimidazolyl)-2-naphthalenecarboxamide",
        "4-[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]azo-3-hydroxy-N-(2-oxobenzimidazol-5-yl)naphthalene-2-carboxamide",
        "4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide",
        "4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-N-(2-oxobenzimidazol-5-yl)naphthalene-2-carboxamide",
        "4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-oxidanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide",
        "4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-oxidanyl-N-(2-oxidanylidenebenzimidazol-5-yl)naphthalene-2-carboxamide"
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