roxarsone

CHEBI:35817 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl. — 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:22638
Label unavailable CHEBI:86421

Chemical structure

Computed structure properties
Molecular formula	C6H6AsNO6
Charge	0
Average mass	263.037 Da
Monoisotopic mass	262.94111 Da
Source	ChEBI
InChIKey	XMVJITFPVVRMHC-UHFFFAOYSA-N

SMILES

O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O

InChI

InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)

Also called

3-Nitro (BRAND_NAME)— chebi
Ren-O-Sal (BRAND_NAME)— chebi
roxarson (INN)— chebi
roxarsonum (INN)— chebi
(4-hydroxy-3-nitrophenyl)arsonic acid (EXACT_SYNONYM)— chebi
2-nitro-1-hydroxybenzene-4-arsonic acid (EXACT_SYNONYM)— chebi
3-nitro-4-hydroxybenzenearsonic acid (EXACT_SYNONYM)— chebi
3-nitro-4-hydroxyphenylarsonic acid (EXACT_SYNONYM)— chebi
4-hydroxy-3-nitrobenzenearsonic acid (EXACT_SYNONYM)— chebi
4-hydroxy-3-nitrophenylarsonic acid (EXACT_SYNONYM)— chebi
NSC-2101 (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:121-19-7
gmelin:1221211
lincs.smallmolecule:LSM-5383
reaxys:1976533
vsdb:3003

Patents and articles

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

Activity roles

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

coccidiostat CHEBI:35818
antibacterial drug CHEBI:36047

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:35817`	roxarsone	`antibioticmech:chebi-956840a83d`	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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