Ontology mapping
- Primary identifier
-
cas:52698-84-7 - Ontology term
-
CHEBI:63934— bathocuproine disulfonic acid - Ontology label
- bathocuproine disulfonic acid
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Bathocuproinedisulfonic acid disodium salt | EXACT_SYNONYM | unmapped_duplicate_review_2026_05_07 | |
| 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 52698-84-7
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C26H18N2Na2O6S2
- Smiles
- CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]
- Inchi
- InChI=1S/C26H20N2O6S2.2Na/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
- Pubchem cid
- 15678335
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 52698-84-7 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 OLS (stem-substring)
Parent class identified via stem-substring; matched_via='Bathocuproine disulfonic acid disodium salt'
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:52698-84-7 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:32.349268+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:03.923919+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C26H18N2Na2O6S2; smiles=CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-]); inchi=InChI=1S/C26H20N2O6S2.2Na/c1-15-25(35(29,30)31)21( | |
| 2026-05-02T03:12:12.718859+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:41:23.613433+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:63934 (stem-substring) | |
| 2026-05-07T00:00:00+00:00 | unmapped_duplicate_review_2026_05_07 | MERGED_FROM_UNMAPPED_DUPLICATE | MAPPED | Absorbed duplicate unmapped record Bathocuproinedisulfonic_Acid_Disodium_Salt.yaml (UNMAPPED_0250); mapped representative preserves CAS fallback identity while retaining CHEBI:63934 only as a parent/narrow mapping. |