1-hydrazinylphthalazine hydrochloride

• ChemBase ID: 109783
• Molecular Formular: C8H9ClN4
• Molecular Mass: 196.63686
• Monoisotopic Mass: 196.05157399
• SMILES: Cl.NNc1nncc2c1cccc2
• Canonical SMILES: NNc1nncc2c1cccc2.Cl
• InChI: InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H
• InChIKey: ZUXNZUWOTSUBMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinylphthalazine hydrochloride
• IUPAC Traditional name: hydralazine hydrochloride
• Synonyms: mono-HYDRAZINOPHTHALAZINE HYDROCHLORIDE; Hydralazine hydrochloride; 1(2H)-Phthalazinone hydrazone; 1-Hydrazinophthalazine hydrochloride; 1-Hydrazinylphthalazine hydrochloride; 1-hydrazinophthalazine hydrochloride; 1-Hydrazinylphthalazine Hydrochloride; 1(2H)-Phthalazinone Hydrazone Hydrochloride; 1-Phthalazinylhydrazine Hydrochloride; Apresoline Hydrochloride; Apulon; Hydralazine Chloride; Hydralazine Monohydrochloride; Lopres; Hydralazine Hydrochloride; 1-肼屈嗪盐酸盐

Database IDs

• CAS Number: 304-20-1
• EC Number: 206-151-0
• MDL Number: MFCD01457387; MFCD00135998
• Beilstein Number: 3568329
• Merck Index: 144763
• PubChem SID: 162089324
• PubChem CID: 9351

CALCULATED PROPERTIES

• Acid pKa: 17.691456
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.17942812
• LogD (pH = 7.4): 0.71192616
• Log P: 0.7513803
• Molar Refractivity: 50.2348 cm^3
• Polarizability: 18.632671 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White to Off-White Solid
• Melting Point: 209 - 211°C; 273°C; 277-279°C; ca 275°C dec.
• Hydrophobicity(logP): 1.023

Safety Information

• Storage Condition: -20°C Freezer
• RTECS: TH9000000
• European Hazard Symbols: Toxic (T); X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 22-40-63; R:25
• Safety Statements: 36/37; S:28-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H351-H361
• GHS Precautionary statements: P281-P301+P310-P321-P308+P313-P405-P501A

Product Information

• Purity: 95%; 98%
• Salt Data: HCl

DETAILS

MP Biomedicals - 05212567

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - H716531

Hydralazine is a non-nucleoside analog that inhibits DNA methylation and reactivates the expression of tumor suppressor genes. Non-selective MAO-A/B inhibitor; semicarbazide-sensitive amine oxidase inhibitor. Antihypertensive.

REFERENCES

• Siedlecki, P., et al.: J. Med. Chem., 49, 678 (2006)
• Link, P., et al.: Cancer Res., 68, 9358 (2006)
• Singh, N., et al.: ChemMedChem., 4, 792 (2006)