(1Z)-1-hydrazinylidene-1,8a-dihydrophthalazine hydrochloride

• ChemBase ID: 133567
• Molecular Formular: C8H9ClN4
• Molecular Mass: 196.63686
• Monoisotopic Mass: 196.05157399
• SMILES: C1=CC2C(=CN=N/C/2=N\N)C=C1.Cl
• Canonical SMILES: N/N=C/1\N=NC=C2C1C=CC=C2.Cl
• InChI: InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5,7H,9H2;1H/b11-8-
• InChIKey: SECXUXOCDLQOBI-MKFZHGHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z)-1-hydrazinylidene-1,8a-dihydrophthalazine hydrochloride
• IUPAC Traditional name: (1Z)-1-hydrazinylidene-8aH-phthalazine hydrochloride
• Synonyms: 1-Hydrazinophthalazine hydrochloride; Hydralazine hydrochloride

Database IDs

• CAS Number: 304-20-1
• EC Number: 206-151-0
• MDL Number: MFCD00135998
• PubChem SID: 162227844; 24278461
• PubChem CID: 45052524

CALCULATED PROPERTIES

• Acid pKa: 19.599264
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.017648881
• LogD (pH = 7.4): 0.01765575
• Log P: 0.017655838
• Molar Refractivity: 49.4817 cm^3
• Polarizability: 17.13262 Å^3
• Polar Surface Area: 63.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TH9000000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... MAOA(4128), MAOB(4129)

DETAILS

Sigma Aldrich - H1753

Biochem/physiol Actions
Inhibits DNA methyltransferase and modulates epigenetic regulation of gene expression. Non-selective MAO-A/B inhibitor; antihypertensive; semicarbazide-sensitive amine oxidase inhibitor.