Sodium M-(diethylamino)benzenesulphonate

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Sodium M-(diethylamino)benzenesulphonate

UUID 2bc9b6e1-8fe0-4883-8c68-04be52a6e448

Deprecated yes

Replaced By aaa2b778-7a2e-48ef-bf33-7d9c56d8b974

Flow Object ID fo-a4458cde0a3c9301

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 5123-63-7

EC Numbers 225-861-1

prefLabel

Language	Value	Provenance
`en`	`Sodium M-(diethylamino)benzenesulphonate`

altLabel ⓘ

Language	Value	Provenance
`en`	`Benzenesulfonic acid, 3-(diethylamino)-, sodium salt`
`en`	`Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1)`
`en`	`Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt`
`en`	`Sodium <em>N</em>,<em>N</em>-diethylmetanilate`

References

Shared Properties

Predicate	Value
InChIKey	`CBPZVSMXBHTBEV-UHFFFAOYSA-N, IHKNYPYJYZUMMA-UHFFFAOYSA-N, YERLJJDMKZJPBL-UHFFFAOYSA-M`
InChI	`InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);, InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1, InChI=1S/C19H21NO.ClH/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16;/h1-6,9-12,18H,7-8,13-15H2;1H`
IUPAC name	`1,2-diphenyl-3-(1-pyrrolidinyl)-1-propanone;hydrochloride, 1,2-diphenyl-3-pyrrolidin-1-yl-propan-1-one;hydrochloride, 1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride, 1,2-diphenyl-3-pyrrolidino-propan-1-one;hydrochloride, sodium 3-(diethylamino)benzenesulfonate, sodium 3-(diethylamino)besylate`
Molecular formula	`C10H14NNaO3S, C10H15NNaO3S, C19H22ClNO`
SMILES	`C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl, CCN(CC)C1=CC(=CC=C1)S(=O)(=O)O.[Na], CCN(CC)C1=CC(=CC=C1)S(=O)(=O)[O-].[Na+]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`2bc9b6e1-8fe0-4883-8c68-04be52a6e448`	sodium m-(diethylamino)benzenesulphonate

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=sodiumm-(diethylamino)benzenesulphonate\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=5123-63-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-(diethylamino)-, sodium salt, Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1), Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt, Sodium <em>N</em>,<em>N</em>-diethylmetanilate; object_uuid=fo-a4458cde0a3c9301
`cas_match_labels`	1	`—`	consensus_match	group_key=sodiumm-(diethylamino)benzenesulphonate\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5123-63-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4458cde0a3c9301: {'5123-63-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': 'Benzenesulfonic acid, 3-(diethylamino)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>,<em>N</em>-diethylmetanilate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5123-63-7', 'https://commonchemistry.cas.org/detail?cas_rn=5123-63-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=sodiumm-(diethylamino)benzenesulphonate\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=5123-63-7; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 3-(diethylamino)-, sodium salt, Benzenesulfonic acid, 3-(diethylamino)-, sodium salt (1:1), Metanilic acid, <em>N</em>,<em>N</em>-diethyl-, sodium salt, Sodium <em>N</em>,<em>N</em>-diethylmetanilate; object_uuid=fo-a4458cde0a3c9301
`cas_match_labels`	`None`	`{'5123-63-7': 'exactMatch'}`	group_key=sodiumm-(diethylamino)benzenesulphonate\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5123-63-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a4458cde0a3c9301: {'5123-63-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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