Antineoplastic-12736
Basic information
- CAS
5425-27-4- Standard SMILES
CC(=O)NCCNC(=O)c1ccc([As]=O)cc1- InChIKey
FUPOXVOHPWZDNO-UHFFFAOYSA-N- Molecular formula
- C11H13AsN2O3
- Average molar mass
- 296.15 g/mol
- Monoisotopic mass
- 296.014212
Names & identifiers
- Preferred name
- Antineoplastic-12736
- IUPAC
- N-(2-acetamidoethyl)-4-arsorosobenzamide
Names & synonyms
5425-27-4ANTINEOPLASTIC-12736NSC12736DTXSID70969251NSC-12736N-{2-[4-(Oxoarsanyl)benzamido]ethyl}ethanimidic acid
Database identifiers
- CAS
5425-27-4- PubChem CID
- 224352
- DTXSID
DTXSID70969251
Properties
Computed structural properties
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
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Related reactions
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Compound notes
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