(1E)-4-hydrazinyl-1-hydrazinylidene-1,2-dihydrophthalazine

• ChemBase ID: 175911
• Molecular Formular: C8H10N6
• Molecular Mass: 190.2052
• Monoisotopic Mass: 190.09669435
• SMILES: c1ccc2c(c1)/c(=N\N)/[nH]nc2NN
• Canonical SMILES: NNc1n[nH]/c(=N/N)/c2c1cccc2
• InChI: InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)
• InChIKey: VQKLRVZQQYVIJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-4-hydrazinyl-1-hydrazinylidene-1,2-dihydrophthalazine
• IUPAC Traditional name: (4E)-1-hydrazinyl-4-hydrazinylidene-3H-phthalazine
• Synonyms: 1,4-Dihydrazinylphthalazine Sulfate; 2,3-Dihydro-1,4-phthalazinedione Dihydrazone Sulfate; 1,4-Dihydrazinophthalazine; Depressan; Dihydralazine Sulfate; Dihydrazinophthalazine Sulfate; Dihyzin; Ophthazin Sulfate

Database IDs

• CAS Number: 484-23-1
• PubChem SID: 164231821
• PubChem CID: 10230

CALCULATED PROPERTIES

• Acid pKa: 8.066725
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -0.45518476
• LogD (pH = 7.4): -0.28878477
• Log P: -0.208263
• Molar Refractivity: 76.927 cm^3
• Polarizability: 19.83803 Å^3
• Polar Surface Area: 100.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - O669200

Ophthazin is an antihypertensive agent of the hydrazine class used during pregnancies in dialysis patients with familial mediterranean fever and cystinosis under hemodialysis.

REFERENCES

• Hoffmann, P. et al.: Biomed. Bichim. Acta., 45, 1023 (1986)
• Banhidy, F. et al.: Hypertens. Res., 33, 460 (1986)
• Haase, M . et al.: J. Nephrol., 19, 677 (1986)