Pentizidone sodium

Base Information

• Chemical Name: Pentizidone sodium
• CAS No.: 59831-62-8
• Molecular Formula: C9H15N2NaO3
• Molecular Weight: 430.3639
• UNII: MGX3B47WI2
• NCI Thesaurus Code: C174709
• Wikidata: Q27284020

Synonyms:Pentizidone sodium;Pentizidone sodium [USAN];Pentizidone sodium hydrate;MGX3B47WI2;59831-62-8;Pentizidone sodium (USAN);3-Isoxazolidinone, 4-((1-methyl-3-oxo-1-butenyl)amino)-, monosodium salt, hemihydrate, (R)-;UNII-MGX3B47WI2;Pentizidone sodium hemihydrate;(R)-4-((1-Methyl-3-oxo-1-butenyl)amino)-3-isoxazolidinone monosodium salt hemihydrate;(R)-4-[(1-Methyl-3-oxo-1-butenyl)amino]-3-isoxazolidinone monosodium salt hemihydrate;sodium (R)-4-((1-methyl-3-oxo-1-butenyl)amino)-3-isoxazolidinone hemihydrate;D05426;Q27284020;3-Isoxazolidinone, 4-((1-methyl-3-oxo-1-butenyl)amino)-, monosodium salt, hemihydrate (2:1), (R)-;3-ISOXAZOLIDINONE, 4-((1-METHYL-3-OXO-1-BUTENYL)AMINO)-, MONOSODIUM SALT, HYDRATE (2:1), (R)-

Chemical Property of Pentizidone sodium

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 430.14403768
• Heavy Atom Count: 29
• Complexity: 271

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)C)NC1CON=C1[O-].CC(=CC(=O)C)NC1CON=C1[O-].O.[Na+].[Na+]
• Isomeric SMILES: C/C(=C\C(=O)C)/N[C@H]1C(=NOC1)[O-].C/C(=C\C(=O)C)/N[C@H]1C(=NOC1)[O-].O.[Na+].[Na+]

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