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.
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
Equivalent identifiers for this same structure in other resources.
- cas:121-19-7
- gmelin:1221211
- lincs.smallmolecule:LSM-5383
- patent:DE224953
- patent:GB226255
- reaxys:1976533
- vsdb:3003
- wikipedia.en:Roxarsone
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.