tirapazamine

CHEBI:78887 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:33860
Label unavailable CHEBI:35580
Label unavailable CHEBI:51361

Chemical structure

Computed structure properties
Molecular formula	C7H6N4O2
Charge	0
Average mass	178.151 Da
Monoisotopic mass	178.04908 Da
Source	ChEBI
InChIKey	ORYDPOVDJJZGHQ-UHFFFAOYSA-N

SMILES

Nc1n[n+]([O-])c2ccccc2[n+]1[O-]

InChI

InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)

Also called

1,2,4-benzotriazin-3-amine 1,4-dioxide (EXACT_SYNONYM)— chebi
3-Amino-1,2,4-benzotriazine 1,4-dioxide (EXACT_SYNONYM)— chebi
SR 4233 (EXACT_SYNONYM)— chebi
SR-4233 (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:27314-97-2
reaxys:179322

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

kegg.drug:D06167

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

wikipedia.en:Tirapazamine

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:78887`	tirapazamine	`antibioticmech:chebi-59e131c858`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

Explore across X-Mech: MediaIngredientMech (tirapazamine) · CultureMech · NaturalProductMech · PathwayMech · TraitMech