picarbutrazox

CHEBI:85627 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An oxime O-ether that is the (Z)-oxime derivative of 1-methyl-1H-tetrazol-5-yl phenyl ketone in which the hydrogen of the hydroxy group has been replaced by the N-tert-butoxycarbonyl derivative of a [6-(Boc-amino)pyridin-2-yl]methyl group. It is a novel fungicide developed for use on cereals. — 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:23003 CHEBI:23003
CHEBI:26421 CHEBI:26421
CHEBI:35689 CHEBI:35689
CHEBI:36816 CHEBI:36816
CHEBI:87061 CHEBI:87061

Chemical structure

Computed structure properties
Molecular formula	C20H23N7O3
Charge	0
Average mass	409.45 Da
Monoisotopic mass	409.18624 Da
Source	ChEBI
InChIKey	URHWNXDZOULUHC-ULJHMMPZSA-N

SMILES

Cn1nnnc1/C(=N\OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccc1

InChI

InChI=1S/C20H23N7O3/c1-20(2,3)30-19(28)22-16-12-8-11-15(21-16)13-29-24-17(14-9-6-5-7-10-14)18-23-25-26-27(18)4/h5-12H,13H2,1-4H3,(H,21,22,28)/b24-17-

Also called

tert-butyl {6-[({(Z)-[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]pyridin-2-yl}carbamate (EXACT_SYNONYM)— chebi
1,1-dimethylethyl N-[6-[[[(Z)-[(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]carbamate (EXACT_SYNONYM)— chebi
tert-butyl (6-{[(Z)-(1-methyl-1H-5-tetrazolyl)(phenyl)methylene]aminooxymethyl}-2-pyridyl)carbamate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:500207-04-5
patent:EP2687088
pesticides:picarbutrazox
ppdb:2667
reaxys:11888660

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:86328 CHEBI:86328

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:85627`	picarbutrazox	`antibioticmech:chebi-18bdd5906e`	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.