Sulfaquinoxaline

Ontology mapping

Primary identifier: cas:59-40-5
Ontology term: CHEBI:94719 — 4-amino-N-(2-quinoxalinyl)benzenesulfonamide
Ontology label: 4-amino-N-(2-quinoxalinyl)benzenesulfonamide

Chemical properties

Cas rn: 59-40-5
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C14H12N4O2S
Smiles: C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N
Inchi: InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
Pubchem cid: 5338

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 59-40-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 5338'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:94719's, and a 'parent' with an identical formula is not a parent — BACKFILL_PARENT_CHEBI found the term via a PubChem xref and filed it as one. Identity confirmed by InChIKey: the record's own cas_rn, written from CultureBotHT compounds_to_cas.csv at creation and so independent of this mapping, resolves in PubChem to the same key ChEBI records for the term. ontology_id is unchanged.

Occurrence statistics

Total occurrences: 0
Distinct media: 0

Curation history

Timestamp	Curator	Action	New status	Changes
2026-04-29T06:51:33.117170+00:00	audit_add_remaining_culturebotht	CREATED_FROM_CAS_FALLBACK	MAPPED	Created with cas:59-40-5 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:36.491289+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:55:32.773390+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C14H12N4O2S; smiles=C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N; inchi=InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20
2026-05-02T03:12:18.682932+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T05:02:42.635396+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:94719 (pubchem-xref)
2026-08-13T00:00:00+00:00	regrade_identical_formula_parents	REGRADED_PARENT_TO_IDENTITY		mapping_quality NARROW_MATCH -> SYNONYM_MATCH (#326); the narrowMatch parent is the same substance, confirmed by InChIKey via the record's own CAS.