Sotalol hydrochloride
Everything that changed this flow. Back to the flow
3ca312b5-8f75-4a3d-af28-d3c26d94c972
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'MJ 1999' (grade code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=959-24-0; cc_chebi_agreed_name='Sotalol hydrochloride'; object_uuid=fo-93a950a1d18a3f5d |
| cas_match_labels | 1 | consensus_match | group_key=4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilidehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'959-24-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93a950a1d18a3f5d: {'959-24-0': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['959-24-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9207']; candidate_pubchem_cids=[5253, 66245, 165245, 67108155]; selected_pubchem_cids=[66245]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,341 | bootstrap_labels | prefLabel | — | [{"@value":"4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide hydrochloride","@language":"en","source":{"prov:w… | Bootstrapped prefLabel from legacy name field |
| 4,342 | bootstrap_labels | name | 4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 4,343 | bootstrap_labels | synonyms | ["organic","4'","-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilidehydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 76,608 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 76,609 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 214,789 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,093 | normalize_name_case | prefLabel | [{"@value":"4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide hydrochloride","@language":"en","source":{"prov:w… | [{"@value":"4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide Hydrochloride","@language":"en","source":{"prov:w… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,355 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,356 | enrich_references | skos_definition | — | [{"@value":"A hydrochloride salt that is the monohydrochloride of sotalol. It has both β-adrenoreceptor blocking (Vaugh… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,357 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.012.269","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['959-24-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9207']; candidate_pubchem_cids=[5253, 66245, 165245, 67108155]; selected_pubchem_cids=[66245]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,519 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | rdkit_pre_consensus from 'CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl'; added: monoisotopic_mass |
| 254,925 | chebi_altlabels | altLabel | [] | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,259 | consensus_match | prefLabel | [{"@value":"4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilide Hydrochloride","@language":"en","source":{"prov:w… | [{"@value":"Sotalol hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | cas=959-24-0; cc_chebi_agreed_name='Sotalol hydrochloride'; object_uuid=fo-93a950a1d18a3f5d |
| 262,260 | consensus_match | altLabel | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | cas=959-24-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-93a950a1d18a3f5d |
| 262,261 | consensus_match | altLabel | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | group_key=4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilidehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; cas=959-24-0; added Common Chemistry CAS names as altLabel: (±)-Sotalol hydrochloride, 4′-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide hydrochloride, 4′-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide hydrochloride, 4′-[2-(Isopropylamino)-1-hydroxyethyl]methanesulfonanilide monohydrochloride, <em>N</em>-Isopropyl-β-(4-methanesulfonamidophenyl)ethanolamine hydrochloride, <em>N</em>-[4-[1-Hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]methanesulfonamide hydrochloride, <em>dl</em>-Sotalol hydrochloride, <span class="text-smallcaps">D</smallcap><smallcap>L</span>-MJ 1999, Darob, MJ 1999, Methanesulfonamide, <em>N</em>-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, hydrochloride (1:1), Methanesulfonamide, <em>N</em>-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-, monohydrochloride, Methanesulfonanilide, 4′-[1-hydroxy-2-(isopropylamino)ethyl]-, monohydrochloride, Sotacor, Sotalex; object_uuid=fo-93a950a1d18a3f5d |
| 262,262 | consensus_match | cas_match_labels | — | {"959-24-0":"exactMatch"} | group_key=4'-(1-hydroxy-2-isopropylaminoethyl)methanesulphonanilidehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'959-24-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93a950a1d18a3f5d: {'959-24-0': 'exactMatch'} |
| 274,650 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride' |
| 281,106 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | rdkit_post_consensus from 'CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,142 | strip_catalogue_altlabels | altLabel | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | [{"@value":"4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride","@language":"en","source":{"p… | Removed 1 catalogue altLabel value(s): 'MJ 1999' (grade code) |
| 319,319 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3ca312b5-8f75-… | associations resolved on the elementary layer |
| 388,955 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20N2O3… | typed the way the ontology types it |
| 395,908 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
PROV-O trail
22 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1302361922970000/4341 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v0 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v1 |
| ef:activity/change/20260821T1302361922970000/4342 | name | ef:agent/bootstrap_labels | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v1 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v2 |
| ef:activity/change/20260821T1302361922970000/4343 | synonyms | ef:agent/bootstrap_labels | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v2 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v3 |
| ef:activity/change/20260821T1302361922970000/76608 | context | ef:agent/default_context_mapping | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v3 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v4 |
| ef:activity/change/20260821T1302361922970000/76609 | context_iri | ef:agent/default_context_mapping | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v4 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v5 |
| ef:activity/change/20260821T1302361922970000/214789 | unit_iri | ef:agent/unit_normalization | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v5 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v6 |
| ef:activity/change/20260821T1302361922970000/222093 | prefLabel | ef:agent/normalize_name_case | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v6 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v7 |
| ef:activity/change/20260821T1302361922970000/231355 | properties | ef:agent/enrich_references | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v7 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v8 |
| ef:activity/change/20260821T1302361922970000/231356 | skos_definition | ef:agent/enrich_references | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v8 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v9 |
| ef:activity/change/20260821T1302361922970000/231357 | references | ef:agent/enrich_references | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v9 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v10 |
| ef:activity/change/20260821T1302361922970000/249519 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v10 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v11 |
| ef:activity/change/20260821T1302361922970000/254925 | altLabel | ef:agent/chebi_altlabels | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v11 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v12 |
| ef:activity/change/20260821T1302361922970000/262259 | prefLabel | ef:agent/consensus_match | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v12 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v13 |
| ef:activity/change/20260821T1302361922970000/262260 | altLabel | ef:agent/consensus_match | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v13 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v14 |
| ef:activity/change/20260821T1302361922970000/262261 | altLabel | ef:agent/consensus_match | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v14 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v15 |
| ef:activity/change/20260821T1302361922970000/262262 | cas_match_labels | ef:agent/consensus_match | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v15 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v16 |
| ef:activity/change/20260821T1302361922970000/274650 | properties | ef:agent/opsin_iupac | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v16 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v17 |
| ef:activity/change/20260821T1302361922970000/281106 | properties | ef:agent/rdkit_post_consensus | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v17 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v18 |
| ef:activity/change/20260821T1302361922970000/288142 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v18 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v19 |
| ef:activity/change/20260821T1302361922970000/319319 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v19 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v20 |
| ef:activity/change/20260821T1302361922970000/388955 | properties | ef:agent/normalise_property_values | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v20 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v21 |
| ef:activity/change/20260821T1302361922970000/395908 | types | ef:agent/link_flows_to_their_substance | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v21 | ef:flow/3ca312b5-8f75-4a3d-af28-d3c26d94c972/v22 |