Antineoplastic-12721
Basic information
- CAS
5425-15-0- Standard SMILES
NC(=O)NC(=O)NC(=O)c1ccc([As]=O)cc1- InChIKey
KXJQSDQTZBFYNM-UHFFFAOYSA-N- Molecular formula
- C9H8AsN3O4
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 296.973075
Names & identifiers
- Preferred name
- Antineoplastic-12721
- IUPAC
- 4-arsoroso-N-(carbamoylcarbamoyl)benzamide
- English name
- 4-arsenoso-N-(carbamoylcarbamoyl)benzamide
- Molecular formula
- C9H8AsN3O4
- Molecular weight
- 297.1
Names & synonyms
5425-15-0ANTINEOPLASTIC-12721NSC12721DTXSID40969243NSC-12721N-{[Hydroxy(imino)methyl]carbamoyl}-4-(oxoarsanyl)benzene-1-carboximidic acid4-arsenoso-N-(carbamoylcarbamoyl)benzamideBenzamide, N-[[(aminocarbonyl)amino]carbonyl]-4-arsenoso-
Database identifiers
- CAS
5425-15-0- PubChem CID
- 224342
- DTXSID
DTXSID40969243
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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