Ontology mapping
- Primary identifier
-
NCIT:C76253 - Notes
- FDA GSRS 1T3A50395T establishes the mixture and NCIT identity. Use its PRIMARY CAS 65589-70-0. The original 8048-52-0 is SUPERSEDED in that FDA record; retain source-qualified history, not an active CAS synonym or exact mapping. No global CAS withdrawal is asserted.
Chemical properties
- Cas rn
- 65589-70-0
- Data source
- reports/sssom_completion_20260921/mapping_review/identity-review-20260924/README.md; original source claim preserved in source-records.json
- Retrieval date
- 2026-09-24T00:00:00Z
- Molecular formula
- C27H25ClN6
- Smiles
- C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]
- Inchi
- InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H
- Pubchem cid
- 443101
Evidence (3)
DATABASE_MATCH
via CultureBotHT
Historical source assertion; grounding superseded by #762/#753 review: Imported from CultureBotHT. CAS-RN 8048-52-0 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 NCIT via OLS (label-exact)
Historical source assertion; grounding superseded by #762/#753 review: Parent class identified via label-exact; matched_via='Acriflavine'
CURATOR_JUDGMENT
via reports/sssom_completion_20260921/mapping_review/identity-review-20260924/README.md
FDA GSRS 1T3A50395T establishes the mixture and NCIT identity. Use its PRIMARY CAS 65589-70-0. The original 8048-52-0 is SUPERSEDED in that FDA record; retain source-qualified history, not an active CAS synonym or exact mapping. No global CAS withdrawal is asserted.
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:8048-52-0 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:32.040076+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:51:41.741053+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C27H25ClN6; smiles=C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=N; inchi=InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4- | |
| 2026-05-02T03:12:12.285009+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:39:25.235044+00:00 | backfill_parent_terms | BACKFILL_PARENT_NCIT | set ontology_mapping parent=NCIT:C76253 (label-exact) | |
| 2026-09-24T07:10:47.685884+00:00 | kgmicrobe_identity_review_20260924 LLM | CORRECTED | MAPPED | FDA GSRS 1T3A50395T establishes the mixture and NCIT identity. Use its PRIMARY CAS 65589-70-0. The original 8048-52-0 is SUPERSEDED in that FDA record; retain source-qualified history, not an active CAS synonym or exact mapping. No global CAS withdrawal is asserted. |