8λ3-iodatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-ylium chloride

• ChemBase ID: 105648
• Molecular Formular: C12H8ClI
• Molecular Mass: 314.54939
• Monoisotopic Mass: 313.93592594
• SMILES: [Cl-].[I+]1c2ccccc2c2c1cccc2
• Canonical SMILES: c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]
• InChI: InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1
• InChIKey: FCFZKAVCDNTYID-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 8λ^3-iodatricyclo[7.4.0.0^2,^7]trideca-1(13),2,4,6,9,11-hexaen-8-ylium chloride; 8$l^{3}-iodatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-ylium chloride
• IUPAC Traditional name: 8λ^3-iodatricyclo[7.4.0.0^2,^7]trideca-1(13),2,4,6,9,11-hexaen-8-ylium chloride; 8$l^{3}-iodatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-8-ylium chloride
• Synonyms: DPI; Dibenziodolium chloride; Diphenyleneiodonium chloride; DIPHENYLENEIODONIUM CHLORIDE

Database IDs

• CAS Number: 4673-26-1
• MDL Number: MFCD00214165
• PubChem SID: 24278032; 162092156
• PubChem CID: 2733504

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.237385
• LogD (pH = 7.4): 4.237385
• Log P: 4.237385
• Molar Refractivity: 63.973 cm^3
• Polarizability: 28.731281 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... NOS1(4842), NOS2(4843), NOS2B(201288), NOS2C(645740), NOS3(4846)mouse ... Pik3r1(18708)

Product Information

• Purity: ≥98%; ≥98%
• Quality Level: PREMIUM

DETAILS

MP Biomedicals - 02193650

Purity: >98%
A powerful inhibtor of important enzymes including NADH reductase, oxidase and endothelial nitric oxide synthase.

Sigma Aldrich - D2926

Frequently Asked Questions
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Biochem/physiol Actions
A potent and reversible inhibitor of nitric oxide synthetase from macrophages and endothelial cells. Also inhibits other flavoenzymes such as neutrophil NADPH oxidase.

REFERENCES

• Dodd-O, J.M., et al., Brit. Jour. of Pharmacol. , 120(5) : 857-864 (1997).