pentacyano(nitroso)irondiuide

• ChemBase ID: 210
• Molecular Formular: C5FeN6O--
• Molecular Mass: 215.9381
• Monoisotopic Mass: 215.94829615
• SMILES: N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O
• Canonical SMILES: O=N[Fe-2](C#N)(C#N)(C#N)(C#N)C#N
• InChI: InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
• InChIKey: ASPOIVQEUUCDQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacyano(nitroso)irondiuide
• IUPAC Traditional name: nitroferricyanide
• Brand Name: Nipride; Nitropress
• Synonyms: Disodium nitroprusside dihydrate; Sodium nitroprusside dihydrate; Sodium Nitroprusside; Sodium nitroferricyanide dihydrate; Nitroprusside

Database IDs

• CAS Number: 15078-28-1
• PubChem SID: 160963673; 46508965
• PubChem CID: 11963622

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.0712
• LogD (pH = 7.4): 0.0712
• Log P: 0.0712
• Molar Refractivity: 39.4351 cm^3
• Polarizability: 15.23474 Å^3
• Polar Surface Area: 148.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB00325

• Drug Groups: approved
• Description: Nitroprusside serves as a source of nitric oxide, a potent peripheral vasodilator that affects both arterioles and venules (venules more than arterioles). Nitroprusside is often administered intravenously to patients who are experiencing a hypertensive emergency. [Wikipedia]
• Indication: For immediate reduction of blood pressure of patients in hypertensive crises, reduce bleeding during surgery, and for the treatment of acute congestive heart failure
• Pharmacology: Nitroprusside a powerful vasodilator relaxes the vascular smooth muscle and produce consequent dilatation of peripheral arteries and veins. Other smooth muscle (e.g., uterus, duodenum) is not affected. Sodium nitroprusside is more active on veins than on arteries.
• Toxicity: Overdosage of nitroprusside can be manifested as excessive hypotension or cyanide toxicity or as thiocyanate toxicity. The acute intravenous mean lethal doses (LD₅₀) of nitroprusside in rabbits, dogs, mice, and rats are 2.8, 5.0, 8.4, and 11.2 mg/kg, respectively.
• Affected Organisms: Humans and other mammals
• Biotransformation: Metabolized by reaction with hemoglobin to produce cyanmethemoglobin and cynide ions
• Half Life: Approximately 2 minutes
• Elimination: One molecule of sodium nitroprusside is metabolized by combination with hemoglobin to produce one molecule of cyanmethemoglobin and four CNˉ ions, thiosulfate reacts with cyanide to produce thiocyanate, thiocyanate is eliminated in the urine.
• External Links: Wikipedia; RxList; Drugs.com