Caffeine Hydrobromide

cas:5743-18-0 chemically defined MAPPED CAS FALLBACK_REGISTRY

Ontology mapping

Primary identifier
cas:5743-18-0

Chemical properties

Cas rn
5743-18-0
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C8H11BrN4O2
Smiles
CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Br
Inchi
InChI=1S/C8H10N4O2.BrH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H
Pubchem cid
57351081

Evidence (1)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 5743-18-0 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.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:5743-18-0 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.547665+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:52:13.498129+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C8H11BrN4O2; smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Br; inchi=InChI=1S/C8H10N4O2.BrH/c1-10-4-9-6-5(10)7(13)12(3)
2026-05-02T03:12:13.017224+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))