metronidazole benzoate

CHEBI:50688 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. — 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:36054

Chemical structure

Computed structure properties
Molecular formula	C13H13N3O4
Charge	0
Average mass	275.264 Da
Monoisotopic mass	275.09061 Da
Source	ChEBI
InChIKey	CUUCCLJJOWSASK-UHFFFAOYSA-N

SMILES

Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1

InChI

InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

Also called

Elyzol (BRAND_NAME)— chebi
Flagyl S (BRAND_NAME)— chebi
Flegyl (BRAND_NAME)— chebi
Vertisal (BRAND_NAME)— chebi
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (EXACT_SYNONYM)— chebi
2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate (EXACT_SYNONYM)— chebi
Benzoylmetronidazole (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:13182-89-3
reaxys:621902

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.

drugbank:DB00916

Activity roles

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

antimicrobial agent CHEBI:33281
antibacterial drug CHEBI:36047
antitrichomonal drug CHEBI:50685

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:50688`	metronidazole benzoate	`antibioticmech:chebi-2693956bf7`	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).

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