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.

CHEBI:36054 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

Equivalent identifiers for this same structure in other resources.

Activity roles

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

CHEBI:33281 CHEBI:33281
CHEBI:36047 CHEBI:36047
CHEBI:50685 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

Provenance

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