Robenidine
fo-90c1827517ac641e
Identity
- Type
- Neutral molecule
- CAS
- 25875-51-8
- EC
- 247-308-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- 1,3-Bis(4-chlorobenzylideneamino)guanidine
- 1,3-Bis(p-chlorobenzylideneamino)guanidine
- 2,2′-Bis[(4-chlorophenyl)methylene]carbonimidic dihydrazide
- Benzaldehyde, p-chloro-, dihydrazone with 1,3-diaminoguanidine
- Carbonimidic dihydrazide, 2,2′-bis[(4-chlorophenyl)methylene]-
- Carbonimidic dihydrazide, bis[(4-chlorophenyl)methylene]-
- Chimcoccid
- Guanidine, 1,3-bis[(p-chlorobenzylidene)amino]-
- Khimcoccid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MOOFYEJFXBSZGE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22) |
| IUPAC name chemrof:IUPAC_name | 1,3-Bis(4-chlorobenzylideneamino)guanidine |
| Molecular formula chemrof:molecular_formula | C15H13Cl2N5 |
| Molecular mass chemrof:molecular_mass | 334.21 |
| Monoisotopic mass chemrof:monoisotopic_mass | 333.054801 |
| SMILES string chemrof:smiles_string | N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 |
Known URLs
6Where 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=25875-51-8 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9046813 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2355158 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/33196 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/60196301 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126677956 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ffe50389-c304-4445-ad20-f153183deae3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ac43fb6f-ec28-47f9-a4ee-a125e8f6071e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| bc6dcdaa-4d89-45c6-933e-e30969368b35 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e77b3d9a-9fa3-4411-9b75-fc2c691ae18f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e1678439-6305-4f7e-a8e8-ae1b09bdfa2c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9ef796c9-4361-4e5b-bbad-91df8b89f8df | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c50d105a-6a54-4396-9a4f-b4b8cc29d471 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ffa63c85-ab9e-43a4-9918-1202bd526f5a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2a9520ed-79f4-426d-a5fa-b9e55b8559de | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3a2647a3-8c45-4a43-a593-738b4cdf4ff6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d0432867-eb21-4a70-b68d-22bfb46c08a7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3e134480-afd9-41a1-9d69-0f721cef2493 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 90e84149-25b3-4703-97a8-3833a35bb9ad | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-90c1827517ac641e",
"prefLabel": [
{
"@value": "Robenidine",
"@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": "1,3-Bis(4-chlorobenzylideneamino)guanidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Bis(p-chlorobenzylideneamino)guanidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′-Bis[(4-chlorophenyl)methylene]carbonimidic dihydrazide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzaldehyde, p-chloro-, dihydrazone with 1,3-diaminoguanidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbonimidic dihydrazide, 2,2′-bis[(4-chlorophenyl)methylene]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbonimidic dihydrazide, bis[(4-chlorophenyl)methylene]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chimcoccid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Guanidine, 1,3-bis[(p-chlorobenzylidene)amino]-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Khimcoccid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:25875-51-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C15H13Cl2N5"
],
"attested_by": {
"C15H13Cl2N5": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33196",
"CID:60196301"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"MOOFYEJFXBSZGE-UHFFFAOYSA-N"
],
"attested_by": {
"MOOFYEJFXBSZGE-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33196",
"CID:60196301"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3-Bis(4-chlorobenzylideneamino)guanidine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
]
}
],
"attested_by": {
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3-Bis(4-chlorobenzylideneamino)guanidine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
]
}
],
"attested_by": {
"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,3-Bis(4-chlorobenzylideneamino)guanidine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,3-Bis(4-chlorobenzylideneamino)guanidine"
]
},
"attested_by": {
"1,3-Bis(4-chlorobenzylideneamino)guanidine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
334.21
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=CC=C1C=NN/C(=N/N=CC2=CC=C(C=C2)Cl)/N)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
]
}
],
"attested_by": {
"334.21": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
333.054801
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=CC=C1C=NN/C(=N/N=CC2=CC=C(C=C2)Cl)/N)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1"
]
}
],
"attested_by": {
"333.054801": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25875-51-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33196;CAS:25875-51-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25875-51-8]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9046813",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:60196301;CAS:25875-51-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25875-51-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/33196",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33196;CAS:25875-51-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25875-51-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/60196301",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:60196301;CAS:25875-51-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[25875-51-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2355158",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:60196301;CAS:25875-51-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25875-51-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126677956",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33196;CAS:25875-51-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[25875-51-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "2a9520ed-79f4-426d-a5fa-b9e55b8559de",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"25875-51-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25875-51-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"247-308-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=247-308-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works