Ontology mapping
- Primary identifier
-
CHEBI:87346 - Ontology label
- acridine orange free base
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| N,N,N',N'-tetramethylacridine-3,6-diamine hydrochloride | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 494-38-2
- Data source
- CultureBotHT compounds_to_cas.csv; structure from chebi.db CHEBI:87346 (#312)
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C17H19N3
- Inchi
- InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
- Smiles
- CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1
- Pubchem cid
- 62344
Evidence (2)
Imported from CultureBotHT.
identifier CHEBI:51739 -> CHEBI:87346; ontology CHEBI:51739 ('acridine orange') -> CHEBI:87346 ('acridine orange free base'); mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:51739 'acridine orange' is the hydrochloride (formula H.C17H19N3.Cl, is_a hydrochloride); its formula, InChI, SMILES and the 'tetramethylacridine-3,6-diamine hydrochloride' synonym were copied onto the record from the term. The record's only source-supplied identity evidence is CAS 494-38-2, which PubChem resolves to CID 62344, C17H19N3, InChIKey DPKHZNPWBDQZCN-UHFFFAOYSA-N: CHEBI:87346 'acridine orange free base' (synonyms 'Acridine Orange', 'Acridine Orange Base'). ChEBI xrefs 494-38-2 on both terms, so the PubChem InChIKey decides. The CAS governs the form (#320). Structure fields refreshed from the term; the hydrochloride alias is REJECTED_LABEL.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=494-38-2); Imported from CultureBotHT. |
| 2026-05-01T07:35:32.038135+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:27.867421+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=H.C17H19N3.Cl; inchi=InChI=1S/C17H19N3.ClH/c1-19(2)14-7-5-12-9-13-6-8-1; smiles=CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1.[Cl-].[H+] | |
| 2026-05-02T03:12:12.281806+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-09-23T00:44:54.408844+00:00 | claude LLM | REGROUNDED_IDENTITY | MAPPED | identifier CHEBI:51739 -> CHEBI:87346; ontology CHEBI:51739 ('acridine orange') -> CHEBI:87346 ('acridine orange free base'); mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:51739 'acridine orange' is the hydrochloride (formula H.C17H19N3.Cl, is_a hydrochloride); its formula, InChI, SMILES and the 'tetramethylacridine-3,6-diamine hydrochloride' synonym were copied onto the record from the term. The record's only source-supplied identity evidence is CAS 494-38-2, which PubChem resolves to CID 62344, C17H19N3, InChIKey DPKHZNPWBDQZCN-UHFFFAOYSA-N: CHEBI:87346 'acridine orange free base' (synonyms 'Acridine Orange', 'Acridine Orange Base'). ChEBI xrefs 494-38-2 on both terms, so the PubChem InChIKey decides. The CAS governs the form (#320). Structure fields refreshed from the term; the hydrochloride alias is REJECTED_LABEL. (#312) REJECTED_LABEL: N,N,N',N'-tetramethylacridine-3,6-diamine hydrochloride (names the hydrochloride CHEBI:51739, not the free base). |